SCHEMBL21376744

SCHEMBL21376744

CCC(C)(C)c1ncc(OC)cn1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.30
RXRA P19793 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 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
SCHEMBL19464707 0.84 ALDH1A1 (0.32) LMNA
SCHEMBL18522892 0.78 CNR2 (0.41) MAPTKDM4E
SCHEMBL10220198 0.78 CA1 (0.37) LMNAMAPTSCN10A
SCHEMBL21133854 0.76 APLNR (0.35)
SCHEMBL26022241 0.74 TDP1 (0.42) LMNANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL23869464 0.74 APLNR (0.31)
SCHEMBL21339281 0.74 CA1 (0.32) LMNAMAPTSMN1; SMN2SCN10A
SCHEMBL17052958 0.74 CA1 (0.34) LMNAMAPTSCN10A
SCHEMBL18612517 0.74 GBA1 (0.35) NPC1RAB9AKDM4E
SCHEMBL18523069 0.74 NPC1 (0.34) NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10906890-B2 Triazole phenyl compounds as agonists of the APJ receptor AMGEN INC. (US) 2021-02-02 US disclosed
US-20190284173-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-19 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 (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-20190284173-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AGTR1, AGTR2, TBXA2R LMNA 3306/4885NPC1 1604/4885RAB9A 1186/4885
US-10906890-B2 Triazole phenyl compounds as agonists of the APJ receptor AGTR1, AGTR2, TBXA2R LMNA 3306/4885NPC1 1604/4885RAB9A 1186/4885

“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.