SCHEMBL2553841

SCHEMBL2553841

O=C(O)N1CCN(C2CCN(C3CC3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.44
KCNH2 Q12809 1/20 0.44
L3MBTL3 Q96JM7 6/20 0.43
L3MBTL1 Q9Y468 5/20 0.43
POLB P06746 3/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 4/20 0.41
MBTD1 Q05BQ5 1/20 0.40
TP53BP1 Q12888 1/20 0.40
L3MBTL4 Q8NA19 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL65329 0.95 HRH3 (0.47) HRH3KCNH2L3MBTL3L3MBTL1POLB
SCHEMBL2550326 0.93 L3MBTL3 (0.46) HRH3KCNH2L3MBTL3L3MBTL1KDM4E
SCHEMBL3590543 0.87 HRH3 (0.42) HRH3KCNH2L3MBTL3L3MBTL1POLB
SCHEMBL65252 0.86 POLB (0.52) HRH3KCNH2L3MBTL3L3MBTL1POLB
SCHEMBL3768409 0.86 POLB (0.56) HRH3KCNH2L3MBTL3L3MBTL1POLB
SCHEMBL861595 0.85 HRH3 (0.41) HRH3KCNH2L3MBTL3L3MBTL1POLB
SCHEMBL1464487 0.85 L3MBTL3 (0.55) HRH3KCNH2L3MBTL3L3MBTL1POLB
SCHEMBL3601428 0.84 POLB (0.59) HRH3KCNH2L3MBTL3L3MBTL1POLB
SCHEMBL4473669 0.84 L3MBTL3 (0.44) L3MBTL3L3MBTL1POLBKDM4EALDH1A1
SCHEMBL18619500 0.84 POLB (0.59) HRH3KCNH2L3MBTL3L3MBTL1POLB

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 9 patents. 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
WO-2011121223-A1 6-(ALKYL- OR CYCLOALKYL-TRIAZOLOPYRIDAZINE-SULFANYL) BENZOTHIAZOLE DERIVATIVES: PREPARATION, APPLICATION AS MEDICAMENTS AND USE AS MET INHIBITORS SANOFI-AVENTIS (FR) 2011-10-06 WO disclosed
US-7825112-B2 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-11-02 US disclosed
US-7538111-B2 Benzenesulphonamide derivatives, method for production and use thereof for treatment of pain LABORATOIRES FOURNIER S.A. (FR) 2009-05-26 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
US-20060178360-A1 Benzenesulphonamide derivatives, method for production and use thereof for treatment of pain LABORATOIRES FOURNIER S.A. (FR) 2006-08-10 US 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 (2 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-20060178360-A1 Benzenesulphonamide derivatives, method for production and use thereof for treatment of pain LTB4R2, BDKRB2, TBXA2R HRH3 863/4885KCNH2 464/4885L3MBTL3 4412/4885
US-20090018117-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PKD2, QPCT, CCNT2 HRH3 601/4885KCNH2 870/4885L3MBTL3 4199/4885

“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.