SCHEMBL21471676

SCHEMBL21471676

C=CCN1CCc2cc(C(=O)c3cc(C(F)(F)F)n[nH]3)sc2-c2ccc(F)cc21

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.32
CHRM3 P20309 1/20 0.32
AR P10275 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NOTUM Q6P988 2/20 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
SCHEMBL21471714 0.82 CHRM2 (0.38) CHRM2CHRM3KDM4EALDH1A1GAA
SCHEMBL20599068 0.82 NOTUM (0.46) CHRM2CHRM3KDM4EALDH1A1GAA
SCHEMBL21471717 0.81 MAPK14 (0.41) CHRM2CHRM3KDM4EALDH1A1GAA
SCHEMBL21474620 0.81 MAPK14 (0.41) CHRM2CHRM3KDM4EALDH1A1GAA
SCHEMBL21471733 0.79 NOTUM (0.33) KDM4EALDH1A1GAAL3MBTL1NOTUM
SCHEMBL20619490 0.79 ALDH1A1 (0.50) CHRM2CHRM3KDM4EALDH1A1GAA
SCHEMBL21471675 0.78 ALDH1A1 (0.47) CHRM2CHRM3ARKDM4EALDH1A1
SCHEMBL21471683 0.78 CHRM2 (0.36) CHRM2CHRM3ARKDM4EALDH1A1
SCHEMBL21471679 0.78 AVPR2 (0.35) ALDH1A1GAA
SCHEMBL20622402 0.78 HPGD (0.42) CHRM2CHRM3KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10975094-B2 Heterocyclic compounds as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2021-04-13 US disclosed
US-20190315766-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2019-10-17 US disclosed
WO-2019199908-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2019-10-17 WO 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 (2 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-10975094-B2 Heterocyclic compounds as RSV inhibitors SIRT1, FURIN, SIRT5 CHRM2 3915/4885CHRM3 2654/4885AR 4319/4885
US-20190315766-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS SIRT1, FURIN, SIRT5 CHRM2 3915/4885CHRM3 2654/4885AR 4319/4885

“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.