SCHEMBL10112759

SCHEMBL10112759

CN1CCC(C(N)=O)(c2ccc(Br)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.47
SLC22A1 O15245 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
KCNH2 Q12809 1/20 0.44
OPRL1 P41146 2/20 0.42
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40

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
SCHEMBL2130769 0.84 OPRL1 (0.44) OPRL1LMNAALDH1A1
SCHEMBL12227099 0.84 OPRM1 (0.62) OPRM1POLBLMNAALDH1A1
SCHEMBL12227097 0.84 OPRM1 (0.62) OPRM1SLC22A1SLC6A4ADRA1AOPRD1
SCHEMBL12227090 0.83 OPRM1 (0.61) OPRM1SLC22A1SLC6A4ADRA1AOPRD1
SCHEMBL1141468 0.81 LMNA (0.53) OPRL1POLBLMNAALDH1A1
SCHEMBL237773 0.81 LMNA (0.49) OPRL1LMNAALDH1A1
SCHEMBL29604970 0.80 LMNA (0.55) OPRM1OPRD1OPRL1POLBLMNA
SCHEMBL4629887 0.78 TSHR (0.49) OPRD1OPRK1
SCHEMBL15349227 0.77 HDAC1 (0.53) OPRL1LMNAALDH1A1
SCHEMBL30711945 0.77 AKT1 (0.45) OPRM1SLC6A4OPRL1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541572-B2 Compounds for the treatment of inflammatory disorders MERCK SHARP & DOHME CORP. (US) 2013-09-24 US disclosed
US-8541572-B2 Compounds for the treatment of inflammatory disorders MERCK SHARP & DOHME CORP. (US) 2013-09-24 US disclosed
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME CORP. 2012-01-12 US disclosed
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME CORP. 2012-01-12 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-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 OPRM1 2746/4885SLC22A1 750/4885SLC6A4 2025/4885

“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.