SCHEMBL19972396

SCHEMBL19972396

COc1ccc(CN2C[C@H](C(=O)O)[C@@H](c3c(F)cc(OC)cc3F)CC2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 2/20 0.49
HTT P42858 1/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 1/20 0.46
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MAPK1 P28482 2/20 0.43
ALOX15 P16050 1/20 0.43
LMNA P02545 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 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
SCHEMBL19972390 1.00 FPR1 (0.49) FPR1HTTALDH1A1CYP3A4CYP2C19
SCHEMBL19972397 1.00 FPR1 (0.49) FPR1HTTALDH1A1CYP3A4CYP2C19
SCHEMBL19972331 0.94 FPR1 (0.49) FPR1HTTALDH1A1KMT2ASMN1; SMN2
SCHEMBL19972328 0.94 FPR1 (0.49) FPR1HTTALDH1A1KMT2ASMN1; SMN2
SCHEMBL19972327 0.94 FPR1 (0.49) FPR1HTTALDH1A1KMT2ASMN1; SMN2
SCHEMBL19985851 0.93 FPR1 (0.45) FPR1HTTALDH1A1CYP3A4CYP2C19
SCHEMBL19988735 0.88 ALDH1A1 (0.52) FPR1ALDH1A1CYP3A4CYP2C19L3MBTL1
SCHEMBL757491 0.87 DPP4 (0.55) HTTALDH1A1CYP3A4CYP2C19L3MBTL1
SCHEMBL757492 0.87 DPP4 (0.55) HTTALDH1A1CYP3A4CYP2C19L3MBTL1
SCHEMBL757493 0.87 DPP4 (0.55) HTTALDH1A1CYP3A4CYP2C19L3MBTL1

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-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
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 FPR1 2/4885HTT 3532/4885ALDH1A1 3156/4885
US-10265310-B2 6-membered cyclic amines or lactames substituted with urea and phenyl FPR2, FPR1, FPR3 FPR1 2/4885HTT 3532/4885ALDH1A1 3156/4885

“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.