SCHEMBL6310744

SCHEMBL6310744

O=C(NC1CC2CCN(CC2)C1)c1ccc(Oc2ccc(C(F)(F)F)nc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.48
SCN9A Q15858 11/20 0.46
FAAH O00519 1/20 0.42
USP30 Q70CQ3 2/20 0.41
SLC6A5 Q9Y345 1/20 0.41
HPGDS O60760 1/20 0.41

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
SCHEMBL6309600 0.95 CHRNA7 (0.55) CHRNA7SCN9AFAAHUSP30
SCHEMBL6309594 0.95 CHRNA7 (0.55) CHRNA7SCN9AFAAHUSP30
SCHEMBL6303223 0.85 CHRNA7 (0.58) CHRNA7USP30
SCHEMBL6884822 0.85 CHRNA7 (0.54) CHRNA7
SCHEMBL6303268 0.85 CHRNA7 (0.51) CHRNA7USP30
SCHEMBL6311008 0.83 CHRNA7 (0.49) CHRNA7FAAHUSP30HPGDS
SCHEMBL6303101 0.82 CHRNA7 (0.47) CHRNA7SCN9A
SCHEMBL6304732 0.82 CHRNA7 (0.57) CHRNA7USP30SLC6A5
SCHEMBL6303369 0.81 CHRNA7 (0.58) CHRNA7USP30
SCHEMBL6303278 0.81 USP30 (0.61) 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
EP-1480977-A2 SUBSTITUTED ARYL COMPOUNDS FOR TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-12-01 EP claimed
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
WO-2003070728-A2 AZABICYCLO-SUBSTITUTED BENZOYLAMIDES AND THIOAMIDES FOR TREATMENT OF CNS-RELATED DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO claimed
US-6852716-B2 Substituted-aryl compounds for treatment of disease PFIZER INC (US) 2005-02-08 US disclosed
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 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-20030236279-A1 Substituted-aryl compounds for treatment of disease NAT1, CYP7A1, CYP7B1 CHRNA7 2937/4885SCN9A 1101/4885FAAH 964/4885

“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.