SCHEMBL5396017

SCHEMBL5396017

CC(=O)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 1.00
KCNH2 Q12809 20/20 1.00
HTR2A P28223 19/20 1.00
DRD2 P14416 16/20 1.00

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
SCHEMBL5740883 0.90 HTR1A (1.00) HTR1AKCNH2HTR2ADRD2
SCHEMBL6400159 0.86 HTR1A (0.75) HTR1AKCNH2HTR2ADRD2
SCHEMBL5738315 0.84 HTR1A (0.72) HTR1AKCNH2HTR2ADRD2
SCHEMBL5400723 0.84 HTR1A (0.72) HTR1AKCNH2HTR2ADRD2
SCHEMBL5400725 0.84 HTR1A (0.72) HTR1AKCNH2HTR2ADRD2
SCHEMBL5738207 0.82 HTR1A (1.00) HTR1AKCNH2HTR2ADRD2
SCHEMBL6399037 0.81 HTR1A (0.68) HTR1AKCNH2HTR2ADRD2
SCHEMBL6400115 0.81 HTR1A (0.68) HTR1AKCNH2HTR2ADRD2
SCHEMBL6398868 0.80 HTR1A (0.67) HTR1AKCNH2HTR2ADRD2
SCHEMBL6405011 0.80 HTR1A (0.76) HTR1AKCNH2HTR2ADRD2

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.