SCHEMBL3736079

SCHEMBL3736079

O=C(C1CC1)C(Br)c1cc(F)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.44
CES1 P23141 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.40
PSEN1 P49768 4/20 0.37
PSEN2 P49810 4/20 0.37
APH1B Q8WW43 4/20 0.37
NCSTN Q92542 4/20 0.37
APH1A Q96BI3 4/20 0.37
PSENEN Q9NZ42 4/20 0.37
ABL1 P00519 1/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
KMT2A Q03164 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
SCHEMBL3730553 0.87 CES2 (0.44) CES2CES1L3MBTL1GAA
SCHEMBL3735712 0.81 PTGS1 (0.33) L3MBTL1KMT2A
SCHEMBL242256 0.80 CES2 (0.41) CES2CES1GAAALDH1A1KMT2A
SCHEMBL3733998 0.79 CES2 (0.42) CES2CES1TSHRKMT2A
SCHEMBL7466460 0.78 CES2 (0.50) CES2CES1PSEN1PSEN2APH1B
SCHEMBL571476 0.76 NOTUM (0.39) CES2CES1KMT2A
SCHEMBL7676722 0.76 CES2 (0.49) CES2CES1PSEN1PSEN2APH1B
SCHEMBL22862505 0.75 CES2 (0.39) CES2CES1L3MBTL1PSEN1PSEN2
SCHEMBL571443 0.74 HDAC4 (0.45) CES2CES1
SCHEMBL8678425 0.71 OPRL1 (0.41) TSHRKMT2A

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 177/4885L3MBTL1 926/4885

“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.