SCHEMBL20098041

SCHEMBL20098041

CCC(C)c1ccc(F)c(C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 2/20 0.43
NPC1 O15118 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
PGR P06401 2/20 0.37
TRPV3 Q8NET8 2/20 0.36

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
SCHEMBL21432120 1.00 ALDH1A1 (0.43) ALDH1A1HPGDCYP1A2NPC1CYP2D6
SCHEMBL21024550 0.87 ADRB2 (0.39) CYP1A2ADRB2ADRB1PGRTRPV3
SCHEMBL2632858 0.86 TRPV4 (0.46) ALDH1A1HPGDCYP1A2NPC1CYP2D6
SCHEMBL18552783 0.84 ALDH1A1 (0.46) ALDH1A1HPGDCYP1A2NPC1CYP2D6
SCHEMBL879123 0.82 PGR (0.43) ALDH1A1HPGDCYP1A2NPC1RAB9A
SCHEMBL15157224 0.81 ADRB2 (0.40) CYP1A2ADRB2ADRB1PGRTRPV3
SCHEMBL16649358 0.81 ADRB2 (0.40) CYP1A2ADRB2ADRB1PGRTRPV3
SCHEMBL30892077 0.80 CYP11B1 (0.45) CYP1A2ADRB2ADRB1PGRTRPV3
SCHEMBL2824439 0.80 CYP11B1 (0.45) CYP1A2ADRB2ADRB1PGRTRPV3
SCHEMBL26085070 0.79 ALDH1A1 (0.57) ALDH1A1HPGDCYP1A2NPC1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230364082-A1 MUSCARINIC ACETYLCHOLINE M1 RECEPTOR ANTAGONISTS CONTINEUM THERAPEUTICS, INC. 2023-11-16 US disclosed
US-11752149-B2 Muscarinic acetylcholine M1 receptor antagonists Pipeline Therapeutics, Inc. (US) 2023-09-12 US disclosed
US-20230183213-A1 5-MEMBERED HETEROARYL CARBOXAMIDE COMPOUNDS FOR TREATMENT OF HBV ASSEMBLY BIOSCIENCES, INC. 2023-06-15 US disclosed
US-20210161889-A1 MUSCARINIC ACETYLCHOLINE M1 RECEPTOR ANTAGONISTS CONTINEUM THERAPEUTICS, INC. 2021-06-03 US disclosed
US-10881666-B2 Combination pharmaceutical agents as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2021-01-05 US disclosed
US-10836769-B2 Substituted pyrrolizine compounds and uses thereof GILEAD SCIENCES, INC. (US) 2020-11-17 US disclosed
US-10752598-B2 Aryldiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 US disclosed
US-20190292187-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2019-09-26 US disclosed
US-10398706-B2 Heteroaryldiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2019-09-03 US disclosed
US-20190192535-A1 COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2019-06-27 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 (11 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 ALDH1A1 850/4885HPGD 717/4885CYP1A2 79/4885
US-20230364082-A1 MUSCARINIC ACETYLCHOLINE M1 RECEPTOR ANTAGONISTS CHRM1, CHRM2, CHRM5 ALDH1A1 1394/4885HPGD 2248/4885CYP1A2 871/4885
US-20230183213-A1 5-MEMBERED HETEROARYL CARBOXAMIDE COMPOUNDS FOR TREATMENT OF HBV HCCS, HAVCR2, MAVS ALDH1A1 4534/4885HPGD 3404/4885CYP1A2 3720/4885
US-10836769-B2 Substituted pyrrolizine compounds and uses thereof HMBS, DHFR, HCCS ALDH1A1 4332/4885HPGD 270/4885CYP1A2 1075/4885
US-10881666-B2 Combination pharmaceutical agents as RSV inhibitors SERPINB1, FURIN, HIF1AN ALDH1A1 3562/4885HPGD 1593/4885CYP1A2 4109/4885
US-11752149-B2 Muscarinic acetylcholine M1 receptor antagonists CHRM1, CHRM2, CHRM5 ALDH1A1 1394/4885HPGD 2248/4885CYP1A2 871/4885
US-20210161889-A1 MUSCARINIC ACETYLCHOLINE M1 RECEPTOR ANTAGONISTS CHRM1, CHRM2, CHRM5 ALDH1A1 1394/4885HPGD 2248/4885CYP1A2 871/4885
US-10752598-B2 Aryldiazepine derivatives as RSV inhibitors AHR, FURIN, CYP3A5 ALDH1A1 375/4885HPGD 795/4885CYP1A2 75/4885
US-20190292187-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF HMBS, DHFR, HCCS ALDH1A1 4332/4885HPGD 270/4885CYP1A2 1075/4885
US-20180193352-A1 HETEROARYLDIAZEPINE DERIVATIVES AS RSV INHIBITORS CYP3A5, CYP3A43, CYP3A4 ALDH1A1 850/4885HPGD 717/4885CYP1A2 79/4885
US-20190192535-A1 COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS SERPINB1, FURIN, HIF1AN ALDH1A1 3562/4885HPGD 1593/4885CYP1A2 4109/4885

“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.