SCHEMBL21471714

SCHEMBL21471714

C=CCN1CCc2cc(C(=O)Cl)sc2-c2ccc(F)cc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.38
CHRM3 P20309 1/20 0.38
NOTUM Q6P988 11/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4A O75164 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
PIK3CA P42336 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ALOX5 P09917 1/20 0.32
EPHX2 P34913 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32

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
SCHEMBL20599068 0.92 NOTUM (0.46) CHRM2CHRM3NOTUMKDM4EALDH1A1
SCHEMBL21471683 0.88 CHRM2 (0.36) CHRM2CHRM3NOTUMKDM4EALDH1A1
SCHEMBL21471675 0.88 ALDH1A1 (0.47) CHRM2CHRM3NOTUMKDM4EALDH1A1
SCHEMBL21474620 0.87 MAPK14 (0.41) CHRM2CHRM3NOTUMKDM4EALDH1A1
SCHEMBL21471717 0.87 MAPK14 (0.41) CHRM2CHRM3NOTUMKDM4EALDH1A1
SCHEMBL20619490 0.86 ALDH1A1 (0.50) CHRM2CHRM3KDM4EALDH1A1GAA
SCHEMBL21471614 0.86 KDM4E (0.36) CHRM2CHRM3NOTUMKDM4EALDH1A1
SCHEMBL20622402 0.85 HPGD (0.42) CHRM2CHRM3KDM4EALDH1A1GAA
SCHEMBL21478313 0.85 CHRM2 (0.36) CHRM2CHRM3NOTUMKDM4EALDH1A1
SCHEMBL21471792 0.84 CHRM2 (0.36) CHRM2CHRM3KDM4AKDM2BKDM4C

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 2654/4885NOTUM 1555/4885
US-20190315766-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS SIRT1, FURIN, SIRT5 CHRM2 3915/4885CHRM3 2654/4885NOTUM 1555/4885

“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.