SCHEMBL21639941

SCHEMBL21639941

CCCCC1(O)CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 14/20 0.74
OPRM1 P35372 13/20 0.74
OPRD1 P41143 13/20 0.74
OPRK1 P41145 13/20 0.74
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
CYP3A4 P08684 2/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
DPP4 P27487 1/20 0.43

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
SCHEMBL7691375 0.90 OPRL1 (0.60) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL13597038 0.85 OPRL1 (1.00) OPRL1OPRM1OPRD1OPRK1KMT2A
SCHEMBL69083 0.83 OPRM1 (0.56) OPRL1OPRM1OPRD1OPRK1NPSR1
SCHEMBL1489316 0.82 OPRM1 (0.50) OPRL1OPRM1OPRD1OPRK1KMT2A
SCHEMBL21590633 0.79 OPRM1 (0.49) OPRL1OPRM1OPRD1OPRK1KMT2A
SCHEMBL18785421 0.77 OPRM1 (0.49) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL2142315 0.77 OPRM1 (0.51) OPRL1OPRM1OPRD1OPRK1KMT2A
SCHEMBL13317173 0.77 OPRM1 (0.51) OPRL1OPRM1OPRD1OPRK1KMT2A
SCHEMBL30150919 0.77 OPRM1 (0.52) OPRL1OPRM1OPRD1OPRK1KMT2A
SCHEMBL21133658 0.76 NPSR1 (0.51) OPRL1OPRM1OPRD1OPRK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119143648-A Azetidine trichloroacetimidate and preparation method and application thereof 中国科学技术大学 2024-12-17 CN disclosed
EP-3604305-B1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF WAKUNAGA PHARMA CO LTD (JP) 2024-08-28 EP disclosed
CN-110520422-B Novel pyridonecarboxylic acid derivative or salt thereof 涌永制药株式会社 2023-09-05 CN disclosed
US-11286255-B2 Pyridone carboxylic acid derivative or salt thereof WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2022-03-29 US disclosed
US-20200062752-A1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2020-02-27 US disclosed
EP-3604305-A1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF Wakunaga Pharmaceutical Co., Ltd. (JP) 2020-02-05 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 (2 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-20200062752-A1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF RAB10, HDAC10, NEK10 OPRL1 2241/4885OPRM1 3290/4885OPRD1 2410/4885
US-11286255-B2 Pyridone carboxylic acid derivative or salt thereof RARA, RAB10, RABL6 OPRL1 2555/4885OPRM1 3448/4885OPRD1 2538/4885

“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.