SCHEMBL19277014

SCHEMBL19277014

CCC(C)(C)c1ccsc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP3 P42574 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
TAAR1 Q96RJ0 1/20 0.31
CNR2 P34972 2/20 0.31
MAOB P27338 1/20 0.30
HRH3 Q9Y5N1 1/20 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
SCHEMBL20988831 0.83 DRD2 (0.35) CHRM3NPC1RAB9ADRD2DRD3
SCHEMBL23633387 0.82 ESR1 (0.34) CHRM3NPC1RAB9ADRD2DRD3
SCHEMBL30295479 0.82 CHRM3 (0.34) CHRM3NPC1RAB9AMAPK1ATM
SCHEMBL550395 0.80 TAAR1 (0.50) CHRM3NPC1RAB9ATAAR1
SCHEMBL22978805 0.80 CHRM3 (0.36) CHRM3NPC1RAB9ATAAR1CNR2
SCHEMBL9906157 0.78 CHRM3 (0.39) CHRM3NPC1RAB9ADRD2DRD3
SCHEMBL27367521 0.78 CHRM3 (0.39) CHRM3NPC1RAB9ADRD2DRD3
SCHEMBL28706820 0.78 TAAR1 (0.33) CHRM3NPC1RAB9ADRD2DRD3
Hydrochloric Acid SCHEMBL28698065 0.77 TAAR1 (0.32) CHRM3DRD2DRD3TAAR1
Hydrochloric Acid SCHEMBL28704548 0.77 TAAR1 (0.32) CHRM3DRD2DRD3TAAR1

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
CN-113272263-B Glass sheet with coating film and composition for forming the same 日本板硝子株式会社 2023-11-28 CN disclosed
US-11198693-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2021-12-14 US disclosed
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2020-05-28 US disclosed
US-20170240584-A1 NOVEL 7-DEAZAPURINE NUCLEOSIDES FOR THERAPEUTIC USES INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR,V.V.I. (CZ) 2017-08-24 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-20170240584-A1 NOVEL 7-DEAZAPURINE NUCLEOSIDES FOR THERAPEUTIC USES TPMT, TYMP, ENTPD5 CHRM3 4412/4885NPC1 1755/4885RAB9A 844/4885
US-11198693-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF CHRM3 4792/4885NPC1 864/4885RAB9A 2255/4885
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HAVCR2, HDGF CHRM3 4792/4885NPC1 864/4885RAB9A 2255/4885

“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.