SCHEMBL25005545

SCHEMBL25005545

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
TRPV4 Q9HBA0 1/20 0.41
KDM1A O60341 5/20 0.39
MAOB P27338 3/20 0.39
CHRNA7 P36544 2/20 0.39
MAOA P21397 1/20 0.39
KCNH2 Q12809 1/20 0.38
HDAC4 P56524 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
SSTR4 P31391 2/20 0.35
EPHX2 P34913 1/20 0.34
CETP P11597 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL25004338 0.80 KDM1A (0.30) KDM1AMAOBMAOA
SCHEMBL24867535 0.79 KDM1A (0.40) KDM1AMAOBMAOAKCNH2CHRNB2
SCHEMBL25004312 0.79 KDM1A (0.31) KDM1AMAOB
SCHEMBL25136339 0.78 TRPV4 (0.41) HRH3TRPV4KDM1AMAOBCHRNA7
SCHEMBL25005440 0.78 CHRNA7 (0.40) KDM1AMAOBCHRNA7MAOASSTR4
SCHEMBL25897312 0.77 KDM1A (0.37) KDM1ACHRNA7SSTR4CHRNB2CHRNA4
SCHEMBL25004337 0.76 TLR7 (0.33)
SCHEMBL23227704 0.75 HRH3 (0.45) HRH3TRPV4KDM1AMAOBCHRNA7
SCHEMBL29952551 0.75 HRH3 (0.45) HRH3TRPV4KDM1AMAOBCHRNA7
SCHEMBL23993563 0.75 HTR2C (0.49) HRH3KDM1AMAOBCHRNA7MAOA

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 HRH3 2928/4885TRPV4 2125/4885KDM1A 2052/4885

“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.