SCHEMBL20001239

SCHEMBL20001239

O=C1CC(c2ccc(F)cc2F)CCN1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.46
TP53 P04637 1/20 0.43
FPR1 P21462 1/20 0.40
FPR2 P25090 1/20 0.40
GRM2 Q14416 4/20 0.39
HTR1A P08908 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
PARP1 P09874 1/20 0.37
PARP10 Q53GL7 1/20 0.37
MAPK14 Q16539 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
HCRTR2 O43614 1/20 0.36
IDO1 P14902 1/20 0.36

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
SCHEMBL19988434 1.00 OPRL1 (0.46) OPRL1TP53FPR1FPR2GRM2
SCHEMBL15549178 0.84 MTNR1A (0.50) OPRL1TP53FPR1FPR2GRM2
SCHEMBL29941799 0.82 OPRL1 (0.44) OPRL1SLC6A2SLC6A4SLC6A3IDO1
SCHEMBL19988384 0.81 MTNR1A (0.49) FPR1FPR2
SCHEMBL7876830 0.81 OPRL1 (0.42) OPRL1TP53FPR1FPR2GRM2
SCHEMBL28169080 0.77 ALDH2 (0.46) OPRL1TP53
SCHEMBL12562573 0.77 ALDH2 (0.46) OPRL1TP53
SCHEMBL187795 0.76 SLC6A2 (0.55) OPRL1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL30232333 0.76 SLC6A2 (0.55) OPRL1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL10306261 0.76 GRM2 (0.41) OPRL1TP53GRM2HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 OPRL1 38/4885TP53 4748/4885FPR1 2/4885
US-10265310-B2 6-membered cyclic amines or lactames substituted with urea and phenyl FPR2, FPR1, FPR3 OPRL1 38/4885TP53 4748/4885FPR1 2/4885

“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.