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SCHEMBL3871966

SCHEMBL3871966

O=S(=O)(c1ccc(F)cc1)N1CCC(CN2CCN(c3ccccn3)CC2)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.74
▸ KDM4E B2RXH2 3/20 0.74
▸ POLB P06746 3/20 0.61
▸ HTR1A P08908 3/20 0.56
▸ MEN1 O00255 5/20 0.55
▸ KMT2A Q03164 5/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ PKM P14618 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ HTR7 P34969 3/20 0.49
▸ HTR6 P50406 1/20 0.49
▸ DRD2 P14416 3/20 0.49
▸ HTR2A P28223 3/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49

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
SCHEMBL13648727 0.79 DRD2 (0.62) POLBHTR1AALDH1A1DRD2HTR2A
SCHEMBL13648741 0.77 DRD2 (0.60) KDM4EPOLBALDH1A1DRD2HTR2A
SCHEMBL13922089 0.76 HTR1A (0.69) LMNAKDM4EHTR1AMEN1KMT2A
SCHEMBL4324132 0.76 KDM4E (0.79) LMNAKDM4EPOLBMEN1KMT2A
SCHEMBL13922088 0.74 HTR1A (0.66) LMNAKDM4EHTR1AMEN1KMT2A
SCHEMBL9773116 0.74 DRD2 (0.56) POLBHTR1ADRD2HTR2AHTR2C
SCHEMBL5251477 0.74 KDM4E (0.76) LMNAKDM4EPOLBMEN1KMT2A
SCHEMBL11511360 0.74 KDM4E (0.76) LMNAKDM4EPOLBMEN1KMT2A
SCHEMBL5862112 0.74 KDM4E (0.76) LMNAKDM4EMEN1KMT2AL3MBTL1
SCHEMBL9773119 0.74 DRD2 (0.56) POLBHTR1ADRD2HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1756551-A New arylpiperazinyl compounds PREDIX PHARMACEUTICALS HOLDING (US) 2006-04-05 — — CN claimed
US-20040220192-A1 Arylpiperazinyl compounds EPIX DELAWARE, INC. 2004-11-04 — — US claimed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 — — US disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 — — US disclosed
US-7491727-B2 Good selectivity, high affinity, metabolically stable 5-HT receptor modulators with good bioavailability, CNS penetration, and good pharmacokinetic; antiserotonine agents; central nervous system disorders; anxiolytic agents; attention deficit disorders; strokes; headaches EPIX DELAWARE, INC. (US) 2009-02-17 — — US disclosed
US-7491727-B2 Good selectivity, high affinity, metabolically stable 5-HT receptor modulators with good bioavailability, CNS penetration, and good pharmacokinetic; antiserotonine agents; central nervous system disorders; anxiolytic agents; attention deficit disorders; strokes; headaches EPIX DELAWARE, INC. (US) 2009-02-17 — — US disclosed
US-7491727-B2 Good selectivity, high affinity, metabolically stable 5-HT receptor modulators with good bioavailability, CNS penetration, and good pharmacokinetic; antiserotonine agents; central nervous system disorders; anxiolytic agents; attention deficit disorders; strokes; headaches EPIX DELAWARE, INC. (US) 2009-02-17 — — US disclosed
US-7488731-B2 Arylpiperazinyl compounds EPIX DELAWARE, INC. (US) 2009-02-10 — — US disclosed
US-7488731-B2 Arylpiperazinyl compounds EPIX DELAWARE, INC. (US) 2009-02-10 — — US disclosed
US-7488731-B2 Arylpiperazinyl compounds EPIX DELAWARE, INC. (US) 2009-02-10 — — US disclosed
US-20080027066-A1 Arylpiperazinyl Compounds EPIX DELAWARE, INC. 2008-01-31 — — US disclosed
US-20070004742-A1 Arylpiperazinyl compounds EPIX DELAWARE, INC. 2007-01-04 — — US disclosed
US-20070004742-A1 Arylpiperazinyl compounds EPIX DELAWARE, INC. 2007-01-04 — — US disclosed
US-20070004742-A1 Arylpiperazinyl compounds EPIX DELAWARE, INC. 2007-01-04 — — US disclosed
US-7153858-B2 Arylpiperazinyl compounds EPIX DELAWARE, INC. (US) 2006-12-26 — — US disclosed
CN-1756551-A New arylpiperazinyl compounds PREDIX PHARMACEUTICALS HOLDING (US) 2006-04-05 — — CN disclosed
EP-1592425-A2 NEW ARYLPIPERAZINYL COMPOUNDS Predix Pharmaceuticals Holdings, Inc. (US) 2005-11-09 — — EP disclosed
WO-2004069794-A9 NEW ARYLPIPERAZINYL COMPOUNDS PREDIX PHARMACEUTICALS HOLDING (US) 2004-12-09 — — WO disclosed
US-20040220192-A1 Arylpiperazinyl compounds EPIX DELAWARE, INC. 2004-11-04 — — US disclosed
WO-2004069794-A2 NEW ARYLPIPERAZINYL COMPOUNDS PREDIX PHARMACEUTICALS HOLDINGS, INC. (US) 2004-08-19 — — WO 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 (4 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-20080027066-A1 Arylpiperazinyl Compounds HTR5A, HTR1A, HTR2A LMNA 2770/4885KDM4E 3482/4885POLB 4265/4885
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS HTR6, GAP43, HTR5A LMNA 3909/4885KDM4E 3933/4885POLB 1896/4885
US-20070004742-A1 Arylpiperazinyl compounds HTR5A, HTR1A, HTR2A LMNA 2770/4885KDM4E 3482/4885POLB 4265/4885
US-20040220192-A1 Arylpiperazinyl compounds HTR5A, HTR1A, HTR2A LMNA 2770/4885KDM4E 3482/4885POLB 4265/4885

“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.