SCHEMBL251849

SCHEMBL251849

COc1nc(C)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
ALDH1A1 P00352 6/20 0.52
RAB9A P51151 8/20 0.45
HPGD P15428 5/20 0.45
KMT2A Q03164 2/20 0.44
OPRK1 P41145 1/20 0.44
HSD17B10 Q99714 2/20 0.42
USP2 O75604 1/20 0.42
METAP2 P50579 1/20 0.41
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
NPC1 O15118 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
TP53 P04637 4/20 0.39
MAPT P10636 2/20 0.39
GRM5 P41594 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL30631421 1.00 KDM4E (0.52) KDM4EALDH1A1RAB9AHPGDKMT2A
SCHEMBL323351 0.77 POLB (0.55) ALDH1A1RAB9AHPGDKMT2AHSD17B10
SCHEMBL10075373 0.76 APOBEC3A (0.42) KDM4EALDH1A1RAB9AHPGDKMT2A
SCHEMBL2414257 0.76 MAOB (0.34) KDM4EALDH1A1RAB9AHPGDKMT2A
SCHEMBL20360930 0.76 CRHBP (0.41) KDM4EALDH1A1RAB9AHPGDKMT2A
SCHEMBL22257074 0.76 POLB (0.36) KDM4EALDH1A1RAB9AHPGDKMT2A
SCHEMBL20679536 0.76 NCF1 (0.40) KDM4EALDH1A1RAB9AKMT2ANPC1
SCHEMBL16563898 0.75 CCR1 (0.42) ALDH1A1HPGDMAPTTDP1CCR1
SCHEMBL10304986 0.74 RAB9A (0.45) KDM4EALDH1A1RAB9AHPGDKMT2A
SCHEMBL320788 0.74 APOBEC3A (0.41) KDM4EALDH1A1RAB9AHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12503439-B2 Heteroaryl compounds for the treatment of pain VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-12-23 US disclosed
CN-119677737-A Heteroaryl compounds for the treatment of pain 沃泰克斯药物股份有限公司 2025-03-21 CN disclosed
CN-112469712-B Substituted 2-heteroaryloxy pyridines and salts thereof, and their use as herbicides 拜耳公司 2024-08-13 CN disclosed
US-11834434-B2 Substituted 2-heteroaryloxypyridines and salts thereof and their use as herbicidal agents BAYER AKTIENGESELLSCHAFT (DE) 2023-12-05 US disclosed
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-23 US disclosed
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-23 US disclosed
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-23 US disclosed
WO-2023205463-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
WO-2023205463-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
US-20210276974-A1 SUBSTITUTED 2-HETEROARYLOXYPYRIDINES AND SALTS THEREOF AND THEIR USE AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2021-09-09 US disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
US-20060052411-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor TADA YUKIO 2006-03-09 US disclosed
US-6977266-B2 Pyridone derivatives having affinity for cannabinoid 2-type receptor SHIONOGI & CO., LTD. (JP) 2005-12-20 US disclosed
US-20050101590-A1 Cannabinoid receptor agonists SHIONOGI & CO., LTD. (JP) 2005-05-12 US disclosed
CN-1575283-A Piperazine derivatives having CCR1 receptor antagonist activity PFIZER PROD INC (US) 2005-02-02 CN disclosed
EP-1477186-A1 ANTIPRURITICS SHIONOGI & CO., LTD. (JP) 2004-11-17 EP disclosed
US-20040082619-A1 Pyridone derivatives having affinity for cannabinoid 2-type receptor SHIONOGI & CO., LTD. (JP) 2004-04-29 US disclosed
EP-1357111-A1 PYRIDONE DERIVATIVE HAVING AFFINITY FOR CANNABINOID 2-TYPE RECEPTOR SHIONOGI & CO., LTD. (JP) 2003-10-29 EP disclosed
US-4264599-A HYPOTENSIVE AGENTS, ADRENERGIC BLOCKING AGENTS CIBA-GEIGY CORPORATION (US) 1981-04-28 US disclosed
EP-0000485-A1 Piperidino-propanols, their preparation and pharmaceutical compounds containing them CIBA-GEIGY AG (CH) 1979-02-07 EP 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 (8 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-20050101590-A1 Cannabinoid receptor agonists CNR1, CNR2, OPRL1 KDM4E 2840/4885ALDH1A1 4118/4885RAB9A 1986/4885
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN TRPV1, SCN3A, KCNN3 KDM4E 4346/4885ALDH1A1 1762/4885RAB9A 1101/4885
US-20060052411-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor CNR2, CNR1, NPY2R KDM4E 1228/4885ALDH1A1 2526/4885RAB9A 2255/4885
US-20210276974-A1 SUBSTITUTED 2-HETEROARYLOXYPYRIDINES AND SALTS THEREOF AND THEIR USE AS HERBICIDAL AGENTS DDT, AGPS, GMDS KDM4E 1162/4885ALDH1A1 611/4885RAB9A 2941/4885
US-12503439-B2 Heteroaryl compounds for the treatment of pain TRPV1, SCN3A, KCNN3 KDM4E 4346/4885ALDH1A1 1762/4885RAB9A 1101/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 KDM4E 3245/4885ALDH1A1 3580/4885RAB9A 3433/4885
US-20040082619-A1 Pyridone derivatives having affinity for cannabinoid 2-type receptor CNR1, CNR2, NPY1R KDM4E 590/4885ALDH1A1 3084/4885RAB9A 2726/4885
US-11834434-B2 Substituted 2-heteroaryloxypyridines and salts thereof and their use as herbicidal agents DDT, AGPS, GMDS KDM4E 1162/4885ALDH1A1 611/4885RAB9A 2941/4885

“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.