SCHEMBL19972227

SCHEMBL19972227

COC(=O)CC(c1ccc(OC)cc1F)C(C#N)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
NPC1 O15118 2/20 0.36
TP53 P04637 2/20 0.36
RAB9A P51151 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CPS1 P31327 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
NFKB1 P19838 1/20 0.34
CLK1 P49759 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
PRKCZ Q05513 1/20 0.34
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
USP30 Q70CQ3 1/20 0.33

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
SCHEMBL19985861 0.91 KMT2A (0.38) KMT2AMTNR1AMTNR1BNPC1TP53
SCHEMBL19972301 0.88 ALDH1A1 (0.36) KMT2AALDH1A1MAPT
SCHEMBL19988401 0.85 KDM4E (0.37) KMT2ANPC1TP53RAB9AHSD17B10
SCHEMBL756201 0.84 HTT (0.32) KMT2ATP53HSD17B10ALDH1A1MAPT
SCHEMBL1096505 0.83 KCNA5 (0.37) KMT2AALDH1A1
SCHEMBL19985872 0.76 KDM4E (0.37) KMT2ANPC1TP53RAB9AHSD17B10
SCHEMBL4428619 0.75 ALDH1A1 (0.48) KMT2AKDM4EALDH1A1MAPT
SCHEMBL1105718 0.74 KCNA5 (0.40) KMT2AKDM4EALDH1A1MAPT
SCHEMBL14920601 0.73 HTT (0.34) KMT2AALDH1A1MAPT
SCHEMBL1096969 0.72 KCNA5 (0.51) KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515902-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2019-07-31 EP disclosed
US-10265310-B2 6-membered cyclic amines or lactames substituted with urea and phenyl Grünenthal GmbH (DE) 2019-04-23 US disclosed
US-10265310-B2 6-membered cyclic amines or lactames substituted with urea and phenyl Grünenthal GmbH (DE) 2019-04-23 US disclosed
WO-2018054549-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2018-03-29 WO disclosed
WO-2018054549-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2018-03-29 WO disclosed
US-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2018-03-22 US disclosed
US-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2018-03-22 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 (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-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL FPR2, FPR1, FPR3 KMT2A 3931/4885MTNR1A 520/4885MTNR1B 266/4885
US-10265310-B2 6-membered cyclic amines or lactames substituted with urea and phenyl FPR2, FPR1, FPR3 KMT2A 3931/4885MTNR1A 520/4885MTNR1B 266/4885

“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.