SCHEMBL3733998

SCHEMBL3733998

O=C(C1CC1)C(Br)c1ccc(F)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
EPHX2 P34913 5/20 0.35
KMT2A Q03164 2/20 0.33
TACR1 P25103 1/20 0.30
PDE2A O00408 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
RIPK1 Q13546 1/20 0.30
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL3730553 0.79 CES2 (0.44) CES2CES1PDE2A
SCHEMBL3736079 0.79 CES2 (0.44) CES2CES1KMT2ATSHR
SCHEMBL242256 0.78 CES2 (0.41) CES2CES1KMT2AMEN1
SCHEMBL7464767 0.77 CES2 (0.49) CES2CES1EPHX2
SCHEMBL3735712 0.76 PTGS1 (0.33) KMT2APDE2A
SCHEMBL7682173 0.75 CES2 (0.47) CES2CES1
SCHEMBL571476 0.70 NOTUM (0.39) CES2CES1KMT2A
SCHEMBL8678425 0.69 OPRL1 (0.41) KMT2ATSHR
SCHEMBL3338397 0.67 CES2 (0.39) CES2CES1EPHX2
SCHEMBL1155726 0.67 GAA (0.44) KMT2AMEN1

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 CES2 346/4885CES1 177/4885EPHX2 690/4885

“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.