SCHEMBL3744223

SCHEMBL3744223

O=C(Cc1ccc(F)c(F)c1F)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
RIPK1 Q13546 1/20 0.38
EPHX2 P34913 3/20 0.36
CA2 P00918 1/20 0.35

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
SCHEMBL3733288 0.77 L3MBTL1 (0.49) P2RX7CES2CES1RIPK1
SCHEMBL3736155 0.77 SIGMAR1 (0.46) CES2CES1RIPK1
SCHEMBL6864273 0.77 CES2 (0.46) P2RX7CES2CES1RIPK1CA2
SCHEMBL243780 0.76 ALDH1A1 (0.47)
SCHEMBL892933 0.75 CES2 (0.45) P2RX7CES2CES1RIPK1CA2
SCHEMBL29459927 0.75 CES2 (0.45) P2RX7CES2CES1RIPK1CA2
SCHEMBL1474476 0.74 F10 (0.43)
SCHEMBL3734917 0.74 DPP4 (0.38)
SCHEMBL2151373 0.73 CES2 (0.43) P2RX7CES2CES1RIPK1CA2
SCHEMBL2870153 0.73 RIPK1 (0.45) P2RX7CES2CES1RIPK1CA2

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-7829580-B2 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2010-11-09 US disclosed
US-20060270706-A1 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2006-11-30 US disclosed
EP-1695962-A1 CYCLIC AMINE DERIVATIVE HAVING HETEROARYL RING Sankyo Company, Limited (JP) 2006-08-30 EP 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-20060270706-A1 Cyclic amine derivative having heteroaryl ring F12, F2, H1-3 P2RX7 61/4885CES2 346/4885CES1 177/4885

“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.