SCHEMBL20177611

SCHEMBL20177611

NNC(=O)[C@H]1CC[C@H](F)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
KMT2A Q03164 4/20 0.34
POLB P06746 3/20 0.34
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 3/20 0.32
HTT P42858 2/20 0.31
NAMPT P43490 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA13 Q8N1Q1 1/20 0.31

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
SCHEMBL21380277 1.00 HDAC8 (0.34) HDAC8HDAC6KMT2APOLBHSD17B10
SCHEMBL21380276 1.00 HDAC8 (0.34) HDAC8HDAC6KMT2APOLBHSD17B10
SCHEMBL363166 0.87
SCHEMBL29222629 0.87 HDAC8 (0.42) HDAC8HDAC6KMT2APOLBHSD17B10
SCHEMBL1142180 0.87 HDAC8 (0.42) HDAC8HDAC6KMT2APOLBHSD17B10
SCHEMBL21380387 0.86 ALDH1A1 (0.32) HSD17B10L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL14676174 0.85
SCHEMBL21380104 0.78
SCHEMBL21455528 0.78 HDAC8 (0.58) HDAC8HDAC6KMT2APOLBHSD17B10
SCHEMBL21380103 0.78

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 6 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
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 HDAC8 2057/4885HDAC6 2947/4885KMT2A 4489/4885
US-20190290648-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AGTR1, AGTR2, TBXA2R HDAC8 2057/4885HDAC6 2947/4885KMT2A 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.