SCHEMBL10114230

SCHEMBL10114230

CC(=O)N1CC(N2CCNCC2=O)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 4/20 0.41
▸ CHRNA3 P32297 4/20 0.41
▸ CHRNA4 P43681 4/20 0.41
▸ CHRNB4 P30926 2/20 0.41
▸ CHRNA7 P36544 1/20 0.39
▸ CHRNB3 Q05901 2/20 0.38
▸ CHRNA6 Q15825 2/20 0.38
▸ HTR2C P28335 2/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ HTR2A P28223 1/20 0.30
▸ TMEM97 Q5BJF2 1/20 0.30
▸ SIGMAR1 Q99720 1/20 0.30
▸ KDM5A P29375 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL26091030 0.80 FPR2 (0.42) SMN1; SMN2
SCHEMBL25045384 0.75 HTR2C (0.31) HTR2CHTR2BHTR2A
SCHEMBL749347 0.75 HTR2C (0.36) HTR2CHTR2BHTR2A
SCHEMBL1583248 0.74 HTR2C (0.33) HTR2CHTR2BHTR2A
SCHEMBL27328649 0.74 USP30 (0.45) —
Hydrochloric Acid SCHEMBL18322272 0.73 HTR2C (0.36) HTR2CHTR2BHTR2ASMN1; SMN2
Hydrochloric Acid SCHEMBL1583279 0.73 HTR2C (0.33) HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL1583280 0.73 HTR2C (0.33) HTR2CHTR2BHTR2A
SCHEMBL10114159 0.72 CYP1A2 (0.42) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL1584299 0.72 BRD4 (0.36) HTR2CHTR2BHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637498-B2 Oxopiperazine-azetidine amides and oxodiazepine-azetidine amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-01-28 — — US disclosed
US-20120077797-A1 OXOPIPERAZINE-AZETIDINE AMIDES AND OXODIAZEPINE-AZETIDINE AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-03-29 — — 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 (1 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-20120077797-A1 OXOPIPERAZINE-AZETIDINE AMIDES AND OXODIAZEPINE-AZETIDINE AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS LPL, PNLIP, LIPA CHRNB2 950/4885CHRNA3 1866/4885CHRNA4 1912/4885

“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.

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