SCHEMBL21376423

SCHEMBL21376423

COc1ccc(N2CCC2=O)cc1C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.40
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ATM Q13315 1/20 0.40
GAA P10253 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 3/20 0.39
HPGD P15428 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
RARA P10276 2/20 0.39
RARB P10826 2/20 0.39
RARG P13631 2/20 0.39
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
MCHR1 Q99705 2/20 0.37

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
SCHEMBL21376426 0.92 MAPT (0.53) SMN1; SMN2MAPTHTTHIF1ANPSR1
SCHEMBL1530324 0.85 CRBN (0.50) GAAALDH1A1LMNAHPGDTP53
SCHEMBL23583956 0.84 APLNR (0.41) APLNRSMN1; SMN2MAPTHTTHIF1A
SCHEMBL11815757 0.83 LMNA (0.55) APLNRSMN1; SMN2MAPTHTTHIF1A
SCHEMBL17148219 0.82 F10 (0.44) MCHR1HTR2AHTR2CHTR2B
SCHEMBL23997016 0.81 MAPT (0.51) SMN1; SMN2MAPTHTTHIF1ANPSR1
SCHEMBL20180812 0.80 APLNR (0.50) APLNRSMN1; SMN2MAPTHTTHIF1A
SCHEMBL17148220 0.79 PIK3CA (0.44) APLNRSMN1; SMN2GAAALDH1A1LMNA
SCHEMBL22537380 0.79 APLNR (0.46) APLNRSMN1; SMN2MAPTHTTHIF1A
SCHEMBL29948080 0.79 MAPT (0.48) APLNRSMN1; SMN2MAPTHTTHIF1A

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-11046680-B1 Heteroaryl-substituted triazoles as APJ receptor agonists AMGEN INC. (US) 2021-06-29 US disclosed
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 (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-20190284173-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AGTR1, AGTR2, TBXA2R APLNR 4/4885SMN1; SMN2 4751/4885MAPT 3966/4885
US-11046680-B1 Heteroaryl-substituted triazoles as APJ receptor agonists AGTR1, AGTR2, TBXA2R APLNR 13/4885SMN1; SMN2 4728/4885MAPT 4115/4885
US-10906890-B2 Triazole phenyl compounds as agonists of the APJ receptor AGTR1, AGTR2, TBXA2R APLNR 4/4885SMN1; SMN2 4751/4885MAPT 3966/4885

“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.