SCHEMBL5578592

SCHEMBL5578592

COc1ccc(NC(=O)N2CC3(CCN(CC4CC4)CC3)c3cc(F)ccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 3/20 0.44
CCR2 P41597 1/20 0.44
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM2B Q8NHM5 5/20 0.42
OPRM1 P35372 3/20 0.42
USP2 O75604 1/20 0.42
CYP3A4 P08684 1/20 0.42
OPRK1 P41145 2/20 0.42
OPRL1 P41146 2/20 0.42
BACE1 P56817 2/20 0.41
BACE2 Q9Y5Z0 2/20 0.41
EPHX2 P34913 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
SCHEMBL14366330 0.92 CCR3 (0.53) CCR3
SCHEMBL5578913 0.89 MAPT (0.48) CCR2OPRM1OPRK1OPRL1BACE1
SCHEMBL5578951 0.89 CCR3 (0.43) CCR3CCR2OPRM1CYP3A4OPRK1
SCHEMBL14366329 0.89 POLB (0.52) CCR3OPRM1OPRK1OPRL1
SCHEMBL5578593 0.87 KDM2B (0.48) KDM2BOPRM1OPRK1OPRL1
SCHEMBL5578723 0.87 MEN1 (0.42) CCR3GAAALDH1A1OPRM1OPRK1
SCHEMBL5578722 0.84 LMNA (0.40) CCR3GAAALDH1A1OPRM1OPRK1
SCHEMBL5578511 0.84 ALDH1A1 (0.46) ALDH1A1KDM2BOPRM1OPRK1OPRL1
SCHEMBL5578445 0.83 KCNH2 (0.51) OPRM1OPRK1OPRL1
SCHEMBL13000278 0.82 NOTUM (0.50) OPRM1OPRK1OPRL1

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 disclosed
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
WO-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 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 (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 CCR3 1022/4885CCR2 184/4885CYP1A2 408/4885

“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.