SCHEMBL21376426

SCHEMBL21376426

COc1ccc(N2CCCC2=O)cc1C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HTT P42858 1/20 0.49
HIF1A Q16665 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ATM Q13315 1/20 0.48
HPGD P15428 2/20 0.47
POLB P06746 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
CHEK1 O14757 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.43
GHSR Q92847 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL21376423 0.92 APLNR (0.45) MAPTSMN1; SMN2HTTHIF1ANPSR1
SCHEMBL23997016 0.90 MAPT (0.51) MAPTSMN1; SMN2HTTHIF1ANPSR1
SCHEMBL7294542 0.84 MAPT (0.66) MAPTSMN1; SMN2HTTHIF1ANPSR1
SCHEMBL9595573 0.81 LMNA (0.44) MAPTSMN1; SMN2HTTHIF1ANPSR1
SCHEMBL20180887 0.81 SMN1; SMN2 (0.56) MAPTSMN1; SMN2HTTHIF1ANPSR1
SCHEMBL24196349 0.81 MAPT (0.56) MAPTSMN1; SMN2HTTHIF1ANPSR1
SCHEMBL17148219 0.80 F10 (0.44)
SCHEMBL22537420 0.80 MAPT (0.55) MAPTSMN1; SMN2HTTHIF1ANPSR1
SCHEMBL8324767 0.80 HPGD (0.63) MAPTSMN1; SMN2HTTHIF1ANPSR1
SCHEMBL12444391 0.80 MAPT (0.58) MAPTSMN1; SMN2HTTHIF1ANPSR1

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 MAPT 3966/4885SMN1; SMN2 4751/4885HTT 4397/4885
US-11046680-B1 Heteroaryl-substituted triazoles as APJ receptor agonists AGTR1, AGTR2, TBXA2R MAPT 4115/4885SMN1; SMN2 4728/4885HTT 3661/4885
US-10906890-B2 Triazole phenyl compounds as agonists of the APJ receptor AGTR1, AGTR2, TBXA2R MAPT 3966/4885SMN1; SMN2 4751/4885HTT 4397/4885

“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.