SCHEMBL19985853

SCHEMBL19985853

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 7/20 0.51
FPR2 P25090 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 2/20 0.39
ALOX15 P16050 1/20 0.39
LMNA P02545 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL19988732 0.94 FPR1 (0.55) FPR1FPR2CYP3A4CYP2C19KMT2A
SCHEMBL19985844 0.90 FPR1 (0.45) FPR1KMT2AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL19972292 0.83 FPR1 (0.58) FPR1FPR2CYP3A4CYP2C19KMT2A
SCHEMBL19985851 0.81 FPR1 (0.45) FPR1CYP3A4CYP2C19KMT2AALDH1A1
SCHEMBL19988405 0.79 FPR1 (0.67) FPR1FPR2
SCHEMBL19985852 0.78 ALDH1A1 (0.50) FPR1CYP3A4CYP2C19KMT2AALDH1A1
SCHEMBL19972364 0.77 FPR1 (0.58) FPR1FPR2KMT2AALDH1A1
SCHEMBL19985866 0.77 KMT2A (0.46) FPR1KMT2AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL19985863 0.77 KMT2A (0.46) FPR1KMT2AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4470342 0.75 DPP4 (0.53) FPR1FPR2CYP3A4CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 2/4885FPR2 1/4885CYP3A4 2271/4885

“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.