SCHEMBL5578722

SCHEMBL5578722

COc1ccc(NC(=O)N2CC3(CCN(CC4CC4)CC3)c3cc(F)ccc32)c(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
THRB P10828 2/20 0.39
POLB P06746 1/20 0.39
KCNH2 Q12809 2/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
CCR3 P51677 3/20 0.37
CCR5 P51681 1/20 0.37

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
SCHEMBL14366329 0.88 POLB (0.52) LMNAMAPTOPRM1OPRK1OPRL1
SCHEMBL5578592 0.84 CCR3 (0.44) OPRM1OPRK1OPRL1GAAALDH1A1
SCHEMBL14366330 0.83 CCR3 (0.53) HTTCCR3
SCHEMBL5578936 0.82 OPRM1 (0.42) LMNAOPRM1OPRK1OPRL1POLB
SCHEMBL5578951 0.80 CCR3 (0.43) OPRM1OPRK1OPRL1KCNH2CCR3
SCHEMBL5578445 0.80 KCNH2 (0.51) OPRM1OPRK1OPRL1KCNH2
SCHEMBL5578452 0.79 KDM2B (0.45) LMNAOPRM1OPRK1OPRL1ALDH1A1
SCHEMBL5578593 0.78 KDM2B (0.48) OPRM1OPRK1OPRL1
SCHEMBL5578511 0.78 ALDH1A1 (0.46) LMNAOPRM1OPRK1OPRL1ALDH1A1
SCHEMBL5578913 0.78 MAPT (0.48) MAPTOPRM1OPRK1OPRL1KCNH2

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-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US claimed
EP-1716148-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF Arena Pharmaceuticals, Inc. (US) 2006-11-02 EP claimed
WO-2005063745-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2005-07-14 WO claimed
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 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-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof REN, AVPR2, RECQL LMNA 471/4885MAPT 2939/4885OPRM1 630/4885

“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.