SCHEMBL2763285

SCHEMBL2763285

CNC(=O)CCCC#Cc1cccc(C(=O)NC(C)CO)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 10/20 0.44
HPGD P15428 1/20 0.40
ATM Q13315 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAP4K4 O95819 1/20 0.38
GPR139 Q6DWJ6 1/20 0.37
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL2623651 0.89 ACACB (0.46) ACACBHPGDATMSMN1; SMN2MAP4K4
SCHEMBL2763155 0.88 ACACB (0.48) ACACBHPGDATMSMN1; SMN2MAP4K4
SCHEMBL2763110 0.87 ACACB (0.45) ACACBHPGDATMSMN1; SMN2MAP4K4
SCHEMBL2623650 0.86 ACACB (0.44) ACACBHPGDATMMAP4K4
SCHEMBL13302477 0.86 ACACB (0.45) ACACBHPGDATMSMN1; SMN2MAP4K4
SCHEMBL13302481 0.85 ACACB (0.47) ACACBHPGDATMSMN1; SMN2MAP4K4
SCHEMBL13376367 0.85 ACACB (0.47) ACACBHPGDATMMAP4K4
SCHEMBL2763802 0.85 ACACB (0.49) ACACBHPGDATMSMN1; SMN2ALDH1A1
SCHEMBL13302479 0.84 ACACB (0.47) ACACBHPGDATMSMN1; SMN2MAP4K4
SCHEMBL13302487 0.83 ACACB (0.43) ACACBHPGDATMMAP4K4

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
US-20180116983-A1 COMPOUNDS FOR TREATING DISORDERS ASSOCIATED WITH BK CHANNEL MODULATION CANBEX THERAPEUTICS LIMITED (GB) 2018-05-03 US disclosed
WO-2016128771-A1 COMPOUNDS FOR TREATING DISORDERS ASSOCIATED WITH BK CHANNEL MODULATION CANBEX THERAPEUTICS LIMITED (GB) 2016-08-18 WO disclosed
US-20160107984-A1 MODULATOR UNIVERSITY COLLEGE LONDON (GB) 2016-04-21 US disclosed
US-20160107984-A1 MODULATOR UNIVERSITY COLLEGE LONDON (GB) 2016-04-21 US disclosed
US-9120723-B2 Modulator CANBEX THERAPEUTICS LIMITED (GB) 2015-09-01 US disclosed
US-9120723-B2 Modulator CANBEX THERAPEUTICS LIMITED (GB) 2015-09-01 US disclosed
US-20130123356-A1 MODULATOR UNIVERSITY COLLEGE LONDON (GB) 2013-05-16 US disclosed
US-20130123356-A1 MODULATOR UNIVERSITY COLLEGE LONDON (GB) 2013-05-16 US disclosed
EP-2177503-B1 MODULATORS OF CANNABINOID RECEPTORS UCL BUSINESS PLC (GB) 2013-04-10 EP disclosed
EP-2177503-B1 MODULATORS OF CANNABINOID RECEPTORS UCL BUSINESS PLC (GB) 2013-04-10 EP disclosed
US-20100144876-A1 MODULATOR UNIVERSITY COLLEGE LONDON (GB) 2010-06-10 US disclosed
EP-2177503-A1 MODULATORS OF CANNABINOID RECEPTORS UCL Business PLC (GB) 2010-04-21 EP disclosed
EP-2177503-A1 MODULATORS OF CANNABINOID RECEPTORS UCL Business PLC (GB) 2010-04-21 EP disclosed
US-7696382-B2 Modulator UNIVERSITY COLLEGE LONDON (GB) 2010-04-13 US disclosed
US-7696382-B2 Modulator UNIVERSITY COLLEGE LONDON (GB) 2010-04-13 US disclosed
EP-1745011-B1 MODULATORS OF CANNABINOID RECEPTORS UCL BUSINESS PLC (GB) 2009-09-30 EP disclosed
US-20080114062-A1 Modulator UNIVERSITY COLLEGE LONDON WOLFSON INSTITUTE FOR BIOMEDICAL RESEARCH (GB) 2008-05-15 US disclosed
US-20080114062-A1 Modulator UNIVERSITY COLLEGE LONDON WOLFSON INSTITUTE FOR BIOMEDICAL RESEARCH (GB) 2008-05-15 US disclosed
EP-1745011-A2 MODULATORS OF CANNABINOID RECEPTORS UCL Biomedica plc (GB) 2007-01-24 EP disclosed
WO-2005080316-A2 MODULATORS OF CANNABINOID RECEPTORS UCL BIOMEDICA PLC. (GB) 2005-09-01 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 (5 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-20080114062-A1 Modulator CHRNA3, CHRM3, NR3C2 ACACB 3036/4885HPGD 2698/4885ATM 4322/4885
US-20160107984-A1 MODULATOR CHRNA3, CHRNB3, CHRM3 ACACB 3390/4885HPGD 1896/4885ATM 4443/4885
US-20130123356-A1 MODULATOR MRGPRX2, NR3C2, MC2R ACACB 2315/4885HPGD 750/4885ATM 4751/4885
US-20100144876-A1 MODULATOR CHRNA3, CHRM3, NR3C2 ACACB 3036/4885HPGD 2698/4885ATM 4322/4885
US-20180116983-A1 COMPOUNDS FOR TREATING DISORDERS ASSOCIATED WITH BK CHANNEL MODULATION HCN4, KCNJ4, KCNQ4 ACACB 3843/4885HPGD 2385/4885ATM 3547/4885

“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.