SCHEMBL20098097

SCHEMBL20098097

CCC(C)c1ncc(OC)cc1F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.37
FFAR1 O14842 1/20 0.33
CYP11B1 P15538 2/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.32
USP7 Q93009 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CYP11B2 P19099 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CRHR1 P34998 1/20 0.31

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
SCHEMBL22363321 0.87 TAAR1 (0.35) TAAR1CYP11B1ALDH1A1MAPTHTT
SCHEMBL12190777 0.82 NPC1 (0.37) TAAR1CYP11B1ALDH1A1MAPTHTT
SCHEMBL469180 0.80 AGBL2 (0.32)
SCHEMBL19965685 0.80 AGBL2 (0.32)
SCHEMBL20372765 0.79 TAAR1 (0.34) TAAR1CYP11B1ALDH1A1MAPTHTT
SCHEMBL20169685 0.79 CCR1 (0.31)
SCHEMBL22630751 0.77 SHBG (0.30)
SCHEMBL15109272 0.73 TAAR1 (0.40) TAAR1CYP11B1USP7NPC1RAB9A
SCHEMBL19559582 0.72 ADRB3 (0.32)
SCHEMBL21380326 0.72 PDE2A (0.36) ALDH1A1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752598-B2 Aryldiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 US disclosed
US-10398706-B2 Heteroaryldiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2019-09-03 US disclosed
US-20180193352-A1 HETEROARYLDIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2018-07-12 US disclosed
US-9957281-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2018-05-01 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 (3 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-10398706-B2 Heteroaryldiazepine derivatives as RSV inhibitors CYP3A5, CYP3A43, CYP3A4 TAAR1 3235/4885FFAR1 386/4885CYP11B1 22/4885
US-10752598-B2 Aryldiazepine derivatives as RSV inhibitors AHR, FURIN, CYP3A5 TAAR1 2323/4885FFAR1 199/4885CYP11B1 60/4885
US-20180193352-A1 HETEROARYLDIAZEPINE DERIVATIVES AS RSV INHIBITORS CYP3A5, CYP3A43, CYP3A4 TAAR1 3235/4885FFAR1 386/4885CYP11B1 22/4885

“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.