SCHEMBL5578725

SCHEMBL5578725

O=C(c1cccc2ccccc12)N1CCC2(CC1)CN(C(Cc1ccccc1)C1=COCO1)c1ccccc12

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.46
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CCR5 P51681 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
NPC1L1 Q9UHC9 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GRIN2B Q13224 1/20 0.34

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
SCHEMBL5578558 0.84 TACR1 (0.39)
SCHEMBL5579059 0.84 TACR1 (0.42)
SCHEMBL5582420 0.83 AVPR1A (0.41) AVPR1AMEN1KMT2ACCR5ALDH1A1
SCHEMBL5578877 0.82 MEN1 (0.36) MEN1KMT2ACCR5ALDH1A1KDM4E
SCHEMBL5578492 0.74 HSD11B1 (0.39) MEN1KMT2AUSP2ALDH1A1LMNA
SCHEMBL5579248 0.72 AVPR1A (0.53) AVPR1AMEN1KMT2ACCR5USP2
SCHEMBL5578601 0.69 AVPR1A (0.43) AVPR1AMEN1KMT2AUSP2ALDH1A1
SCHEMBL5578579 0.67 HDAC8 (0.35) MEN1KMT2A
SCHEMBL5579336 0.67 DRD4 (0.50) AVPR1A
SCHEMBL5578487 0.66 GRIN2B (0.60) AVPR1AMEN1KMT2AUSP2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 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 AVPR1A 48/4885MEN1 882/4885KMT2A 1940/4885

“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.