SCHEMBL6310608

SCHEMBL6310608

O=C(NC1CC2CCN(CC2)C1)c1ccc(Oc2cc(C(F)(F)F)cs2)cc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.47
SLC6A5 Q9Y345 11/20 0.42
DRD4 P21917 3/20 0.39
HTR2A P28223 1/20 0.39
USP30 Q70CQ3 2/20 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
SCHEMBL6303009 0.95 CHRNA7 (0.53) CHRNA7SLC6A5DRD4HTR2A
SCHEMBL6630482 0.95 CHRNA7 (0.53) CHRNA7SLC6A5DRD4HTR2A
SCHEMBL6303005 0.95 CHRNA7 (0.53) CHRNA7SLC6A5DRD4HTR2A
SCHEMBL6303294 0.86 CHRNA7 (0.50) CHRNA7USP30
SCHEMBL6883289 0.85 CHRNA7 (0.52) CHRNA7
SCHEMBL6305443 0.85 CHRNA7 (0.57) CHRNA7SLC6A5USP30
SCHEMBL6310757 0.84 CHRNA7 (0.48) CHRNA7DRD4HTR2AUSP30
SCHEMBL6303458 0.83 CHRNA7 (0.46) CHRNA7SLC6A5
SCHEMBL6303630 0.82 CHRNA7 (0.48) CHRNA7SLC6A5USP30
SCHEMBL6631814 0.81 CHRNA7 (0.57) CHRNA7USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852716-B2 Substituted-aryl compounds for treatment of disease PFIZER INC (US) 2005-02-08 US claimed
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
US-6852716-B2 Substituted-aryl compounds for treatment of disease PFIZER INC (US) 2005-02-08 US disclosed
EP-1480977-A2 SUBSTITUTED ARYL COMPOUNDS FOR TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-12-01 EP disclosed
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003070728-A2 AZABICYCLO-SUBSTITUTED BENZOYLAMIDES AND THIOAMIDES FOR TREATMENT OF CNS-RELATED DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 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-20030236279-A1 Substituted-aryl compounds for treatment of disease NAT1, CYP7A1, CYP7B1 CHRNA7 2937/4885SLC6A5 1715/4885DRD4 3850/4885

“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.