SCHEMBL253565

SCHEMBL253565

O=C(O)CC1CCCc2c1cc1ccccn21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TP53 P04637 1/20 0.41
PPARD Q03181 4/20 0.39
TSHR P16473 2/20 0.38
HPGD P15428 1/20 0.38
TBXA2R P21731 5/20 0.38
PTGDR Q13258 5/20 0.38
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
PDE2A O00408 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
SCHEMBL2016087 0.72 S1PR1 (0.54) FFAR1PPARDPPARGPPARA
SCHEMBL30301824 0.71 FFAR1 (0.52) FFAR1L3MBTL1TP53PPARDTSHR
SCHEMBL3590904 0.71 FFAR1 (0.52) FFAR1L3MBTL1TP53PPARDTSHR
SCHEMBL8449850 0.71 DGAT1 (0.45)
SCHEMBL3378446 0.70 SIGMAR1 (0.58)
SCHEMBL955851 0.70 SIGMAR1 (0.58)
SCHEMBL3379565 0.70 SIGMAR1 (0.58)
SCHEMBL2017263 0.69 CYP11B1 (0.40)
SCHEMBL5775918 0.69 PDE2A (0.41) FFAR1HPGDTBXA2RPTGDRPDE2A
SCHEMBL30671703 0.68 KDM4C (0.55) FFAR1L3MBTL1TP53PPARDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004233-A1 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC (US) 2012-01-05 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 (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-20120004233-A1 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 FFAR1 140/4885L3MBTL1 4241/4885TP53 4356/4885

“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.