SCHEMBL5400889

SCHEMBL5400889

CC(=O)N(C)C1Cc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc2C1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 0.62
KCNH2 Q12809 16/20 0.62
HTR2A P28223 15/20 0.62
DRD2 P14416 12/20 0.62
HTR7 P34969 1/20 0.57

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
SCHEMBL5400886 1.00 HTR1A (0.62) HTR1AKCNH2HTR2ADRD2HTR7
SCHEMBL5739158 1.00 HTR1A (0.62) HTR1AKCNH2HTR2ADRD2HTR7
SCHEMBL6401318 0.93 HTR1A (0.65) HTR1AKCNH2HTR2ADRD2
SCHEMBL5739649 0.88 HTR1A (0.60) HTR1AKCNH2HTR2ADRD2HTR7
SCHEMBL5739533 0.88 HTR1A (0.60) HTR1AKCNH2HTR2ADRD2HTR7
SCHEMBL5739536 0.88 HTR1A (0.60) HTR1AKCNH2HTR2ADRD2HTR7
SCHEMBL5400725 0.85 HTR1A (0.72) HTR1AKCNH2HTR2ADRD2HTR7
SCHEMBL5400723 0.85 HTR1A (0.72) HTR1AKCNH2HTR2ADRD2HTR7
SCHEMBL5738315 0.85 HTR1A (0.72) HTR1AKCNH2HTR2ADRD2HTR7
SCHEMBL6402195 0.83 HTR1A (0.58) HTR1AKCNH2HTR2ADRD2HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007513197-A 2007-05-24 JP claimed
EP-1697334-A1 HETEROCYCLIC SUBSTITUTED INDANE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2006-09-06 EP claimed
US-20050282819-A1 Heterocyclic substituted indane derivatives and related compounds for the treatment of schizophrenia GRAHAM JAMES M 2005-12-22 US claimed
WO-2005056540-A1 HETEROCYCLIC SUBSTITUTED INDANE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2005-06-23 WO claimed
EP-1697334-A1 HETEROCYCLIC SUBSTITUTED INDANE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2006-09-06 EP disclosed
US-20050282819-A1 Heterocyclic substituted indane derivatives and related compounds for the treatment of schizophrenia GRAHAM JAMES M 2005-12-22 US disclosed
WO-2005056540-A1 HETEROCYCLIC SUBSTITUTED INDANE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2005-06-23 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-20050282819-A1 Heterocyclic substituted indane derivatives and related compounds for the treatment of schizophrenia CHRM1, CHRM2, CHRM5 HTR1A 61/4885KCNH2 114/4885HTR2A 195/4885

“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.