SCHEMBL4121086

SCHEMBL4121086

CNC(=O)C1(N)CCCC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
CYP2C19 P33261 2/20 0.34
CHRM3 P20309 1/20 0.34
SLC15A2 Q16348 1/20 0.34
TSHR P16473 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CTSC P53634 1/20 0.31
KCNH2 Q12809 1/20 0.31
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31
BLM P54132 1/20 0.31
CACNA2D1 P54289 1/20 0.31
SLC6A3 Q01959 1/20 0.30
KDM4E B2RXH2 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4133242 0.98 CYP3A4 (0.40) CYP3A4SMN1; SMN2ALDH1A1LMNACYP2C19
Hydrochloric Acid SCHEMBL28097210 0.95 CYP3A4 (0.39) CYP3A4SMN1; SMN2ALDH1A1LMNACYP2C19
SCHEMBL1515612 0.95
SCHEMBL2060504 0.90
Hydrochloric Acid SCHEMBL19900778 0.87
SCHEMBL18934852 0.79 KDM4E (0.48) CYP1A2KDM4EKMT2A
SCHEMBL1515589 0.79 CTSC (0.37) ALDH1A1LMNACTSCKCNH2
SCHEMBL21661391 0.78 KDM4E (0.35) ALDH1A1KDM4EKMT2A
SCHEMBL20837330 0.77 DGAT1 (0.43) CYP3A4ALDH1A1LMNACYP2C19CHRM3
SCHEMBL3107018 0.75 HDAC4 (0.42) CYP3A4ALDH1A1LMNACYP2C19CHRM3

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US claimed
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 US claimed
US-11746091-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2023-09-05 US disclosed
US-20230033510-A1 Compounds and Methods for Treatment of Visceral Pain ARENA PHARMACEUTICALS, INC. 2023-02-02 US disclosed
US-20220402841-A1 Stilbene Derivative and Method for Preparing Same Ozchela Inc. (KR) 2022-12-22 US disclosed
US-11214548-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2022-01-04 US disclosed
US-20210188781-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2021-06-24 US disclosed
US-20200078358-A1 Compounds and Methods for Treatment of Visceral Pain ARENA PHARMACEUTICALS, INC. 2020-03-12 US disclosed
CN-110709085-A Compounds and methods for treating visceral pain 艾尼纳制药公司 2020-01-17 CN disclosed
US-20190255009-A1 STILBENE DERIVATIVE AND METHOD FOR PREPARING SAME OZCHELA INC (KR) 2019-08-22 US disclosed
US-20190248729-A1 STILBENE DERIVATIVE AND METHOD FOR PREPARING SAME Ozchela Inc. (KR) 2019-08-15 US disclosed
US-20180354907-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2018-12-13 US disclosed
EP-3363788-A1 CANNABINOID RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2018-08-22 EP disclosed
US-9944606-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2018-04-17 US disclosed
US-8778950-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
US-20130165412-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2013-06-27 US disclosed
US-20120214766-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2012-08-23 US disclosed
US-7504410-B2 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 2009-03-17 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 (12 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-20120214766-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 CYP3A4 2898/4885SMN1; SMN2 208/4885ALDH1A1 3623/4885
US-20190255009-A1 STILBENE DERIVATIVE AND METHOD FOR PREPARING SAME HPN, P4HB, FKBP1B CYP3A4 460/4885SMN1; SMN2 1141/4885ALDH1A1 174/4885
US-20220402841-A1 Stilbene Derivative and Method for Preparing Same FKBP1B, FKBP8, FKBP2 CYP3A4 1531/4885SMN1; SMN2 1618/4885ALDH1A1 1073/4885
US-20200078358-A1 Compounds and Methods for Treatment of Visceral Pain VIP, FABP2, FABP6 CYP3A4 3301/4885SMN1; SMN2 3930/4885ALDH1A1 603/4885
US-20180354907-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 CYP3A4 2898/4885SMN1; SMN2 208/4885ALDH1A1 3623/4885
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 CYP3A4 686/4885SMN1; SMN2 3382/4885ALDH1A1 1759/4885
US-20190248729-A1 STILBENE DERIVATIVE AND METHOD FOR PREPARING SAME FKBP1B, FKBP8, FKBP2 CYP3A4 1531/4885SMN1; SMN2 1618/4885ALDH1A1 1073/4885
US-11746091-B2 Cannabinoid receptor modulators CNR1, CNR2, TRPV1 CYP3A4 2898/4885SMN1; SMN2 208/4885ALDH1A1 3623/4885
US-11214548-B2 Cannabinoid receptor modulators CNR1, CNR2, TRPV1 CYP3A4 2898/4885SMN1; SMN2 208/4885ALDH1A1 3623/4885
US-20230033510-A1 Compounds and Methods for Treatment of Visceral Pain VIP, FABP2, FABP6 CYP3A4 3301/4885SMN1; SMN2 3930/4885ALDH1A1 603/4885
US-20210188781-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 CYP3A4 2898/4885SMN1; SMN2 208/4885ALDH1A1 3623/4885
US-20130165412-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 CYP3A4 2898/4885SMN1; SMN2 208/4885ALDH1A1 3623/4885

“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.