SCHEMBL8053306

SCHEMBL8053306

CN1CCC2(CC1)C(=O)N(C)c1ccccc12

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.61
OPRM1 P35372 6/20 0.61
OPRK1 P41145 5/20 0.61
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HCRTR1 O43613 1/20 0.47
LMNA P02545 1/20 0.47
CHRM1 P11229 1/20 0.45
EGLN1 Q9GZT9 2/20 0.44
RAD52 P43351 1/20 0.43
OPRD1 P41143 3/20 0.42
DRD4 P21917 1/20 0.42
IP6K1 Q92551 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL30548955 0.90 OPRM1 (0.59) OPRL1OPRM1OPRK1MAPTKDM4E
SCHEMBL2490968 0.90 OPRM1 (0.59) OPRL1OPRM1OPRK1MAPTKDM4E
SCHEMBL13001593 0.87 OPRL1 (0.59) OPRL1OPRM1OPRK1MAPTKDM4E
SCHEMBL30411919 0.86 OPRL1 (0.60) OPRL1OPRM1OPRK1MAPTKDM4E
SCHEMBL15579138 0.86 OPRL1 (0.60) OPRL1OPRM1OPRK1MAPTKDM4E
SCHEMBL16627546 0.86 OPRL1 (0.60) OPRL1OPRM1OPRK1MAPTKDM4E
SCHEMBL8872036 0.85 OPRL1 (0.47) OPRL1OPRM1OPRK1CHRM1EGLN1
SCHEMBL30574150 0.85 OPRL1 (0.63) OPRL1OPRM1OPRK1MAPTKDM4E
SCHEMBL8320599 0.84 OPRL1 (0.67) OPRL1OPRM1OPRK1EGLN1OPRD1
SCHEMBL26021860 0.84 OPRL1 (0.56) OPRL1OPRM1OPRK1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof RIKEN (JP) 2022-08-16 US disclosed
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2020-06-04 US disclosed
US-6013652-A ANTIINFLAMMATORY AGENTS; ANALGESICS; ANTIHISTAMINES MERCK & CO., INC. (US) 2000-01-11 US disclosed
US-5962462-A COMPOUNDS WHICH INHIBIT THE ENTRY OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) INTO TARGET CELLS; DELAYING THE ONSET OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS). MERCK & CO., INC. (US) 1999-10-05 US disclosed
WO-1998025605-A1 SPIRO-SUBSTITUTED AZACYCLES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 1998-06-18 WO 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-11414429-B2 Compound or pharmaceutically acceptable salt thereof DPP8, DPP7, AZI2 OPRL1 2333/4885OPRM1 1519/4885OPRK1 1945/4885
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DPP8, DPP7, AZI2 OPRL1 2097/4885OPRM1 1433/4885OPRK1 1683/4885

“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.