SCHEMBL5578600

SCHEMBL5578600

CN1CCC2(CC1)CN(C(=O)c1cccc(C(Cl)Cl)c1)c1ccc(F)cc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
USP2 O75604 3/20 0.38
CYP3A4 P08684 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.38
NOTUM Q6P988 1/20 0.38
IDO1 P14902 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CYP2D6 P10635 3/20 0.37
TSHR P16473 2/20 0.37
CYP1A2 P05177 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
SCHEMBL5578805 0.85 HDAC1 (0.40) MAPK1CYP2C9CYP2C19USP2CYP3A4
SCHEMBL5578669 0.85 OPRM1 (0.40) MAPK1CYP3A4HSD17B10HDAC1HDAC6
SCHEMBL5578571 0.78 NOTUM (0.43) MAPK1NOTUM
SCHEMBL5579020 0.78 ATM (0.45) MAPK1NOTUM
SCHEMBL5578657 0.77 HTT (0.40) MAPK1HTTALDH1A1NOTUMTSHR
SCHEMBL5578626 0.74 NOTUM (0.40) MAPK1CYP2C19GAANOTUM
SCHEMBL14467976 0.74 NOTUM (0.42) MAPK1NOTUMHDAC1HDAC6
SCHEMBL5578998 0.73 OPRM1 (0.44) MAPK1GAAHTTUSP2CYP3A4
SCHEMBL5579054 0.73 CYP2D6 (0.44) MAPK1GAAHTTUSP2CYP3A4
SCHEMBL5578751 0.73 HDAC1 (0.50) NOTUMHDAC1HDAC6

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 MAPK1 2772/4885CYP2C9 818/4885CYP2C19 1019/4885

“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.