SCHEMBL19972326

SCHEMBL19972326

COc1ccc(C2CC(=O)NCC2C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 8/20 0.53
FPR2 P25090 6/20 0.53
L3MBTL1 Q9Y468 1/20 0.49
MAP2K1 Q02750 1/20 0.46
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
TSHR P16473 2/20 0.42
PDE4A P27815 3/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 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
SCHEMBL19988420 0.83 ALDH1A1 (0.49) FPR1FPR2MAP2K1KMT2AMAPT
SCHEMBL19972285 0.83 FPR1 (0.55) FPR1FPR2MAP2K1KMT2ANPC1
SCHEMBL19972233 0.82 MCL1 (0.43) FPR1FPR2
SCHEMBL19985883 0.82 MCL1 (0.43) FPR1FPR2
SCHEMBL4428167 0.81 FPR1 (0.40) FPR1FPR2
SCHEMBL6691503 0.81 FPR1 (0.40) FPR1FPR2
SCHEMBL4428159 0.81 FPR1 (0.40) FPR1FPR2
SCHEMBL4428165 0.81 FPR1 (0.40) FPR1FPR2
SCHEMBL19972394 0.81 FPR1 (0.69) FPR1FPR2
SCHEMBL19972399 0.81 FPR1 (0.53) 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 FPR1 2/4885FPR2 1/4885L3MBTL1 4536/4885
US-10265310-B2 6-membered cyclic amines or lactames substituted with urea and phenyl FPR2, FPR1, FPR3 FPR1 2/4885FPR2 1/4885L3MBTL1 4536/4885

“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.