SCHEMBL20166840

SCHEMBL20166840

COc1cccc(OC)c1NC(=O)C1CCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ HPGD P15428 3/20 0.57
▸ KMT2A Q03164 4/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ TSHR P16473 2/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ MTNR1A P48039 2/20 0.50
▸ MTNR1B P49286 2/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.49
▸ USP2 O75604 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ ALOX15 P16050 1/20 0.48

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
SCHEMBL20166584 0.87 SMN1; SMN2 (0.60) SMN1; SMN2HPGDKMT2AMEN1KDM4E
SCHEMBL9498219 0.83 TSHR (0.54) SMN1; SMN2HPGDKMT2AMEN1KDM4E
SCHEMBL20514025 0.82 GAA (0.58) SMN1; SMN2HPGDKMT2AMEN1KDM4E
SCHEMBL20514178 0.81 SMN1; SMN2 (0.57) SMN1; SMN2HPGDKMT2AMEN1KDM4E
SCHEMBL19551054 0.81 ITGB1 (0.50) SMN1; SMN2HPGDKMT2AMEN1KDM4E
SCHEMBL19550575 0.81 ITGB1 (0.50) SMN1; SMN2HPGDKMT2AMEN1KDM4E
SCHEMBL19550572 0.81 ITGB1 (0.50) SMN1; SMN2HPGDKMT2AMEN1KDM4E
SCHEMBL20177562 0.81 SMN1; SMN2 (0.46) SMN1; SMN2HPGDKMT2AMEN1KDM4E
SCHEMBL20166339 0.81 SMN1; SMN2 (0.46) SMN1; SMN2HPGDKMT2AKDM4ERAB9A
SCHEMBL9498080 0.79 TSHR (0.57) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541804-B1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2025-01-22 — — EP disclosed
US-11020395-B2 Cycloalkyl substituted triazole compounds as agonists of the APJ receptor AMGEN INC. (US) 2021-06-01 — — US disclosed
US-11020395-B2 Cycloalkyl substituted triazole compounds as agonists of the APJ receptor AMGEN INC. (US) 2021-06-01 — — US disclosed
US-20190290648-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-26 — — US disclosed
US-20190290648-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-26 — — US disclosed
EP-3541804-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR Amgen Inc. (US) 2019-09-25 — — EP disclosed
WO-2018093577-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 — — WO disclosed
WO-2018093577-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 — — 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-11020395-B2 Cycloalkyl substituted triazole compounds as agonists of the APJ receptor AGTR1, AGTR2, TBXA2R SMN1; SMN2 4642/4885HPGD 1533/4885KMT2A 4489/4885
US-20190290648-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AGTR1, AGTR2, TBXA2R SMN1; SMN2 4642/4885HPGD 1533/4885KMT2A 4489/4885

“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.

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