SCHEMBL17825617

SCHEMBL17825617

COC(=O)C(C)(CN)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.56
TAAR1 Q96RJ0 1/20 0.47
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
SRC P12931 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
RECQL P46063 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
MEN1 O00255 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
MAPK1 P28482 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42

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
SCHEMBL10982127 0.84 KCNN4 (0.58) KCNN4KMT2AMAPTSRCCYP2C19
SCHEMBL4953286 0.84 KCNN4 (0.58) KCNN4KMT2AMAPTSRCCYP2C19
SCHEMBL28784720 0.84 KCNN4 (0.58) KCNN4KMT2AMAPTSRCCYP2C19
SCHEMBL3671448 0.83 PIN1 (0.49) KCNN4TAAR1KMT2AMAPTCYP1A2
SCHEMBL28839903 0.82 KCNN4 (0.56) KCNN4KMT2AMAPTSRCCYP2C19
SCHEMBL27801143 0.82 KCNN4 (0.56) KCNN4KMT2AMAPTSRCCYP2C19
SCHEMBL6368051 0.82 KCNN4 (0.56) KCNN4KMT2AMAPTSRCCYP2C19
SCHEMBL29003672 0.82 KCNN4 (0.56) KCNN4KMT2AMAPTSRCCYP1A2
SCHEMBL23453194 0.81 TAAR1 (0.54) KCNN4TAAR1KMT2AMAPTCYP1A2
SCHEMBL1450491 0.81 TAAR1 (0.54) KCNN4TAAR1KMT2AMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3229801-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2020-04-01 EP disclosed
US-10189819-B2 Factor IXa inhibitors MERCK SHARP & DOHME, CORP. (US) 2019-01-29 US disclosed
US-20180030036-A1 Factor IXa Inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-01 US disclosed
EP-3229801-A1 FACTOR IXA INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-10-18 EP disclosed
WO-2016094260-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-16 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-20180030036-A1 Factor IXa Inhibitors F9, TFPI, F12 KCNN4 1478/4885TAAR1 4681/4885KMT2A 4286/4885
US-10189819-B2 Factor IXa inhibitors F9, TFPI, F12 KCNN4 1478/4885TAAR1 4681/4885KMT2A 4286/4885

“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.