SCHEMBL25005440

SCHEMBL25005440

CC(C)[C@H]1C[C@@H]1c1ccc(OC(F)(F)F)nc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.40
KDM1A O60341 6/20 0.33
MAOB P27338 3/20 0.33
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
MAOA P21397 1/20 0.31
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
SSTR1 P30872 1/20 0.30
SSTR4 P31391 1/20 0.30

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
SCHEMBL25004715 0.81 CHRNA7 (0.46) CHRNA7CHRNB2CHRNA4
SCHEMBL25005545 0.78 HRH3 (0.43) CHRNA7KDM1AMAOBCHRNB2CHRNA4
SCHEMBL25004743 0.77 KDM1A (0.43) KDM1AMAOBMAOAPPARGPPARD
SCHEMBL24867535 0.75 KDM1A (0.40) KDM1AMAOBCHRNB2CHRNA4MAOA
SCHEMBL25897312 0.73 KDM1A (0.37) CHRNA7KDM1ACHRNB2CHRNA4SSTR4
SCHEMBL25005431 0.72 PDE10A (0.36) PPARGPPARDPPARA
SCHEMBL25004312 0.72 KDM1A (0.31) KDM1AMAOB
SCHEMBL30224944 0.71 LIPE (0.33) CHRNA7
SCHEMBL23993597 0.70 KDM1A (0.38) CHRNA7KDM1ACHRNB2CHRNA4MAOA
SCHEMBL25004988 0.70 ALOX5 (0.45) KDM1APPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 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-20230039553-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E CHRNA7 1915/4885KDM1A 2052/4885MAOB 1036/4885

“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.