SCHEMBL5578737

SCHEMBL5578737

c1ccc(CCN2Cc3ccccc3C3(CCNCC3)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.53
OPRM1 P35372 2/20 0.45
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43

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
SCHEMBL18221709 0.79 SIGMAR1 (0.67) SIGMAR1OPRM1HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL3774275 0.77 KDM4E (0.40) SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL5579055 0.75 SIGMAR1 (0.49) SIGMAR1OPRM1HTR2AHTR2CHTR2B
SCHEMBL5578645 0.74 SIGMAR1 (0.49) SIGMAR1OPRM1HTR2AHTR2CHTR2B
SCHEMBL5578667 0.73 SIGMAR1 (0.47) SIGMAR1OPRM1HTR2B
SCHEMBL11939409 0.72 SIGMAR1 (0.48) SIGMAR1OPRM1HTR2AHTR2CHTR2B
SCHEMBL24481541 0.72 SIGMAR1 (0.60) SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL5578588 0.71 CYP2D6 (0.56)
SCHEMBL653997 0.71 DPP9 (0.50) SIGMAR1
SCHEMBL18209380 0.71 SIGMAR1 (0.67) SIGMAR1OPRM1HTR2AHTR2CHTR2B

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-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US claimed
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 SIGMAR1 444/4885OPRM1 630/4885HTR2A 293/4885

“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.