SCHEMBL19972236

SCHEMBL19972236

CCOC(=O)CC(c1c(F)cc(OC)cc1F)C(C#N)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 1/20 0.35
BRAF P15056 1/20 0.35
ALDH1A1 P00352 4/20 0.34
CYP3A4 P08684 2/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 3/20 0.34
NPC1 O15118 2/20 0.34
HTT P42858 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPT P10636 2/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP1 P29466 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34

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
SCHEMBL19988401 0.85 KDM4E (0.37) SMN1; SMN2KMT2ABRAFALDH1A1NPC1
SCHEMBL19985872 0.80 KDM4E (0.37) SMN1; SMN2KMT2AALDH1A1NPC1HSD17B10
SCHEMBL19972267 0.80 ALOX15 (0.45) SMN1; SMN2L3MBTL1KMT2AALDH1A1HPGD
Hydrochloric Acid SCHEMBL19972373 0.80 SMN1; SMN2 (0.37) SMN1; SMN2L3MBTL1ALDH1A1CYP3A4HPGD
SCHEMBL21342460 0.79 KMT2A (0.44) SMN1; SMN2L3MBTL1KMT2ABRAFALDH1A1
SCHEMBL7247644 0.79 L3MBTL1 (0.44) SMN1; SMN2L3MBTL1KMT2AALDH1A1MAPK1
SCHEMBL28296997 0.78 SMN1; SMN2 (0.40) SMN1; SMN2KMT2ABRAFALDH1A1CYP3A4
SCHEMBL6576846 0.76 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1KMT2AALDH1A1HPGD
SCHEMBL1462180 0.74 CYP3A4 (0.43) SMN1; SMN2L3MBTL1KMT2AALDH1A1CYP3A4
Malonic Acid Diethyl Ester SCHEMBL7992219 0.74 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1KMT2AALDH1A1CYP3A4

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 4 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
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

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 SMN1; SMN2 2418/4885L3MBTL1 4536/4885KMT2A 3931/4885
US-10265310-B2 6-membered cyclic amines or lactames substituted with urea and phenyl FPR2, FPR1, FPR3 SMN1; SMN2 2418/4885L3MBTL1 4536/4885KMT2A 3931/4885

“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.