SCHEMBL5739043

SCHEMBL5739043

O=C(CCl)c1ccc2c(c1)CCC2NC(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
BDKRB1 P46663 6/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
RAB9A P51151 1/20 0.39
TRPV1 Q8NER1 3/20 0.38

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
SCHEMBL5484579 0.90 HTR1A (0.42) HTR1ADRD2HTR2AKCNH2ALDH1A1
SCHEMBL5738480 0.90 HTR1A (0.42) HTR1ADRD2HTR2AKCNH2ALDH1A1
SCHEMBL8251946 0.84 CA12 (0.44) HTR1ADRD2HTR2AKCNH2ALDH1A1
SCHEMBL10588697 0.84 CA12 (0.56) HTR1ADRD2HTR2AKCNH2ALDH1A1
SCHEMBL1315887 0.80 CA12 (0.41) HTR1ADRD2HTR2AKCNH2ALDH1A1
SCHEMBL1315886 0.80 CA12 (0.41) HTR1ADRD2HTR2AKCNH2ALDH1A1
SCHEMBL14437211 0.78 TRPV1 (0.48) HTR1ADRD2HTR2AKCNH2ALDH1A1
SCHEMBL31371415 0.78 TRPV1 (0.48) HTR1ADRD2HTR2AKCNH2ALDH1A1
SCHEMBL5737230 0.76 CA1 (0.42) ALDH1A1MAPTSMN1; SMN2CA12CA1
SCHEMBL5740836 0.76 DRD2 (0.42) HTR1ADRD2HTR2AKCNH2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 61/4885DRD2 9/4885HTR2A 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.