SCHEMBL29664110

SCHEMBL29664110

COc1cc(F)c(N)c(C(C)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 2/20 0.43
MAPK1 P28482 2/20 0.43
HPGD P15428 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
CPS1 P31327 4/20 0.41
MAPK14 Q16539 1/20 0.40
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC1 Q13547 1/20 0.38
MAOB P27338 2/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAOA P21397 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 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
SCHEMBL20670508 1.00 ALDH1A1 (0.43) ALDH1A1CYP3A4MAPK1HPGDTAAR1
SCHEMBL10971731 0.81 CYP3A4 (0.53) ALDH1A1CYP3A4MAPK1HPGDUSP2
SCHEMBL29664206 0.81 MAOB (0.35) MAPK1MAOBNPC1RAB9AMAOA
SCHEMBL20670578 0.81 MAOB (0.35) MAPK1MAOBNPC1RAB9AMAOA
SCHEMBL4480739 0.80 ALDH1A1 (0.44) ALDH1A1CYP3A4MAPK1HPGDUSP2
SCHEMBL4487005 0.79 ALDH1A1 (0.43) ALDH1A1CYP3A4MAPK1HPGDUSP2
SCHEMBL158153 0.78 TAAR1 (0.56) ALDH1A1CYP3A4MAPK1TAAR1HDAC1
SCHEMBL20670887 0.77 KDM4E (0.47) ALDH1A1SMN1; SMN2HDAC1
SCHEMBL29664155 0.77 CES2 (0.47) SMN1; SMN2HDAC1MAOBHTT
SCHEMBL20670577 0.77 CES2 (0.47) SMN1; SMN2HDAC1MAOBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4574210-A2 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO The Scripps Research Institute (US) 2025-06-25 EP disclosed
EP-4141001-B1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO SCRIPPS RESEARCH INST (US) 2025-03-05 EP disclosed
US-20240343719-A1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO Neumora Therapeutics, Inc. 2024-10-17 US disclosed
CN-110914262-B Kappa opioid receptor antagonists and products and methods relating thereto 斯克里普斯研究所 2024-04-05 CN disclosed
US-11897873-B2 Kappa opioid receptor antagonists and products and methods related thereto BLACKTHORN THERAPEUTICS, INC. (US) 2024-02-13 US disclosed
EP-4141001-A1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO The Scripps Research Institute (US) 2023-03-01 EP disclosed
EP-3596069-B1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO SCRIPPS RESEARCH INST (US) 2022-07-13 EP disclosed
US-20220162202-A1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO Neumora Therapeutics, Inc. 2022-05-26 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 (3 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-20220162202-A1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO OPRK1, OPRD1, OPRM1 ALDH1A1 2192/4885CYP3A4 856/4885MAPK1 813/4885
US-20240343719-A1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO OPRK1, OPRD1, OPRM1 ALDH1A1 2154/4885CYP3A4 843/4885MAPK1 858/4885
US-11897873-B2 Kappa opioid receptor antagonists and products and methods related thereto OPRK1, OPRD1, OPRM1 ALDH1A1 2159/4885CYP3A4 859/4885MAPK1 840/4885

“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.