SCHEMBL5582419

SCHEMBL5582419

O=C(c1cccc2ccccc12)N1Cc2ccccc2C2(CCN(Cc3cccc4c3OCO4)CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
FAAH O00519 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.39
GRIN2B Q13224 1/20 0.39
AVPR1A P37288 1/20 0.38
FNTA P49354 2/20 0.37
FNTB P49356 2/20 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
SCHEMBL5578577 0.83 SMN1; SMN2 (0.48) MEN1KMT2AFAAHSMN1; SMN2ALDH1A1
SCHEMBL5578601 0.81 AVPR1A (0.43) MEN1KMT2AFAAHALDH1A1KDM4E
SCHEMBL5582460 0.80 GRIN2B (0.63) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL5580165 0.78 SIGMAR1 (0.52) MEN1KMT2AAVPR1A
SCHEMBL5580211 0.75 AVPR1A (0.43) MEN1KMT2AALDH1A1HTTLMNA
SCHEMBL5578664 0.72 DRD1 (0.41) MEN1KMT2AFAAHSMN1; SMN2ALDH1A1
SCHEMBL5582420 0.72 AVPR1A (0.41) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL5635671 0.68 EED (0.37) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL12934837 0.68 CYP2D6 (0.46) MEN1KMT2AALDH1A1LMNA
SCHEMBL12935226 0.68 MPO (0.46) FAAHALDH1A1KDM4E

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 MEN1 882/4885KMT2A 1940/4885FAAH 1058/4885

“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.