SCHEMBL3601428

SCHEMBL3601428

O=C(O)N1CCN(C2CCCCC2)CC1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
HSD17B10 Q99714 1/20 0.59
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 3/20 0.56
PHGDH O43175 1/20 0.55
MGLL Q99685 1/20 0.55
HRH3 Q9Y5N1 4/20 0.53
KCNH2 Q12809 2/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL3 Q96JM7 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PKM P14618 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18619500 1.00 POLB (0.59) POLBHSD17B10KDM4EALDH1A1PHGDH
SCHEMBL3768409 0.98 POLB (0.56) POLBHSD17B10KDM4EALDH1A1PHGDH
SCHEMBL21482671 0.94 POLB (0.54) POLBHSD17B10KDM4EALDH1A1PHGDH
SCHEMBL65252 0.93 POLB (0.52) POLBHSD17B10KDM4EALDH1A1PHGDH
SCHEMBL65329 0.89 HRH3 (0.47) POLBHSD17B10KDM4EALDH1A1PHGDH
SCHEMBL1507253 0.88 HRH3 (0.52) POLBHSD17B10KDM4EALDH1A1HRH3
SCHEMBL27739891 0.84 HRH3 (0.64) POLBHSD17B10KDM4EALDH1A1PHGDH
SCHEMBL2553841 0.84 HRH3 (0.44) POLBHSD17B10KDM4EALDH1A1HRH3
SCHEMBL18125956 0.84 CHRM1 (0.50) POLBHSD17B10KDM4EALDH1A1PHGDH
SCHEMBL3598735 0.83 KDM4E (0.45) POLBHSD17B10KDM4EALDH1A1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825112-B2 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-11-02 US claimed
CN-101365698-A 2-urea-4-phenylthiazole derivatives, their preparation and their therapeutic use SANOFI AVENTIS (FR) 2009-02-11 CN claimed
US-20090018117-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-01-15 US claimed
CN-1976904-A Pyridazin-3 (2H) -one derivatives and their use as PDE4 inhibitors ALMIRALL LAB (ES) 2007-06-06 CN claimed
US-20250333400-A1 CERTAIN PLADIENOLIDE COMPOUNDS AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2025-10-30 US disclosed
US-20240368140-A1 CERTAIN PLADIENOLIDE COMPOUNDS AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2024-11-07 US disclosed
US-11926619-B2 Certain pladienolide compounds and methods of use EISAI R & D MANAGEMENT CO., LTD. (JP) 2024-03-12 US disclosed
EP-3253752-B1 [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2023-08-16 EP disclosed
US-11053242-B2 [9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11BH-pyrido-[2,1-a]isoquinolin-2-yl]methanol and compounds, compositions and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2021-07-06 US disclosed
US-20200262834-A1 [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2020-08-20 US disclosed
US-9988382-B2 [9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11bH-pyrido-[2,1-A]isoquinolin-2-yl]methanol and compounds, compositions and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2018-06-05 US disclosed
US-9988382-B2 [9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11bH-pyrido-[2,1-A]isoquinolin-2-yl]methanol and compounds, compositions and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2018-06-05 US disclosed
US-9714246-B2 [9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11bH-pyrido-[2,1-a]isoquinolin-2-yl]methanol and compounds, compositions and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2017-07-25 US disclosed
US-9714246-B2 [9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11bH-pyrido-[2,1-a]isoquinolin-2-yl]methanol and compounds, compositions and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2017-07-25 US disclosed
US-20160289226-A1 [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2016-10-06 US disclosed
US-20160289226-A1 [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2016-10-06 US disclosed
US-7825112-B2 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-11-02 US disclosed
CN-101365698-A 2-urea-4-phenylthiazole derivatives, their preparation and their therapeutic use SANOFI AVENTIS (FR) 2009-02-11 CN disclosed
US-20090018117-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-01-15 US disclosed
CN-1976904-A Pyridazin-3 (2H) -one derivatives and their use as PDE4 inhibitors ALMIRALL LAB (ES) 2007-06-06 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160289226-A1 [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO SLC18A2, SLC6A2, SLC18A1 POLB 1862/4885HSD17B10 824/4885KDM4E 2258/4885
US-20240368140-A1 CERTAIN PLADIENOLIDE COMPOUNDS AND METHODS OF USE PLAAT5, PLAAT3, PLAAT4 POLB 1222/4885HSD17B10 854/4885KDM4E 2775/4885
US-20250333400-A1 CERTAIN PLADIENOLIDE COMPOUNDS AND METHODS OF USE SNRPE, SNRPB2, DDX21 POLB 1292/4885HSD17B10 738/4885KDM4E 2035/4885
US-20090018117-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PKD2, QPCT, CCNT2 POLB 4267/4885HSD17B10 1861/4885KDM4E 114/4885
US-11053242-B2 [9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11BH-pyrido-[2,1-a]isoquinolin-2-yl]methanol and compounds, compositions and methods relating thereto SLC18A2, SLC6A2, SLC18A1 POLB 1862/4885HSD17B10 824/4885KDM4E 2258/4885
US-20200262834-A1 [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO SLC18A2, SLC6A2, SLC18A1 POLB 1862/4885HSD17B10 824/4885KDM4E 2258/4885
US-11926619-B2 Certain pladienolide compounds and methods of use PLAAT5, PLAAT3, PLAAT4 POLB 1222/4885HSD17B10 854/4885KDM4E 2775/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.