SCHEMBL19972280

SCHEMBL19972280

COc1cc(F)c(C2CCN(Cc3ccccc3)CC2NC(=O)O)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.56
FPR1 P21462 5/20 0.56
FPR2 P25090 2/20 0.56
SIGMAR1 Q99720 5/20 0.53
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
SCN4A P35499 2/20 0.44

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
SCHEMBL19972380 0.83 SIGMAR1 (0.57) MCHR1SIGMAR1DRD2DRD4
SCHEMBL19972364 0.81 FPR1 (0.58) FPR1FPR2
SCHEMBL1240975 0.81 SIGMAR1 (0.51) MCHR1SIGMAR1DRD2DRD4SCN4A
SCHEMBL5123894 0.81 SIGMAR1 (0.51) MCHR1SIGMAR1DRD2DRD4SCN4A
SCHEMBL19972293 0.79 FPR1 (0.69) FPR1FPR2
SCHEMBL19985856 0.78 L3MBTL1 (0.45) MCHR1FPR1FPR2SIGMAR1DRD2
SCHEMBL16032662 0.76 SIGMAR1 (0.52) MCHR1FPR2SIGMAR1DRD2
SCHEMBL16032661 0.76 SIGMAR1 (0.52) MCHR1FPR2SIGMAR1DRD2
SCHEMBL16032659 0.76 SIGMAR1 (0.52) MCHR1FPR2SIGMAR1DRD2
SCHEMBL19972292 0.75 FPR1 (0.58) FPR1FPR2

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 MCHR1 1889/4885FPR1 2/4885FPR2 1/4885
US-10265310-B2 6-membered cyclic amines or lactames substituted with urea and phenyl FPR2, FPR1, FPR3 MCHR1 1889/4885FPR1 2/4885FPR2 1/4885

“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.