SCHEMBL5644335

SCHEMBL5644335

O=C(CCc1ccc(C(F)(F)F)cc1)C[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 1/20 0.48
PLAAT5 Q96KN8 1/20 0.48
PLAAT2 Q9NWW9 1/20 0.48
PLAAT4 Q9UL19 1/20 0.48
FFAR1 O14842 2/20 0.47
PDPK1 O15530 1/20 0.46
HRH3 Q9Y5N1 2/20 0.44
TAAR1 Q96RJ0 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
MCHR1 Q99705 2/20 0.40
CNR1 P21554 1/20 0.39
DAO P14920 2/20 0.39
MAOB P27338 1/20 0.39
TGM2 P21980 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
SRD5A2 P31213 1/20 0.39

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
SCHEMBL7332151 0.83 FFAR1 (0.57) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL31379296 0.82 FFAR1 (0.46) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL11365724 0.78 CPA1 (0.55) PLAAT5PLAAT4FFAR1HDAC8ALDH1A1
SCHEMBL23918813 0.77 IAPP (0.53) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL408215 0.77 PTPN1 (0.53) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL1294972 0.77 TAAR1 (0.58) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL148989 0.76 TAAR1 (0.52) PLAAT3PLAAT5PLAAT2PLAAT4TAAR1
SCHEMBL27602690 0.76 PTPN1 (0.57) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL7090409 0.76 FFAR1 (0.61) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL11801516 0.74 FFAR1 (0.55) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1

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-7189851-B2 Condensed heterocyclic compounds as calcitonin agonists SMITHKLINE BEECHAM CORPORATION (US) 2007-03-13 US disclosed
US-20050107419-A1 Condensed heterocyclic compounds as calcitonin agonists SMITHKLINE BEECHAM CORPORATION 2005-05-19 US disclosed
WO-2003076440-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS CALCITONIN AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-18 WO 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-20050107419-A1 Condensed heterocyclic compounds as calcitonin agonists CALCRL, CALCR, CALCB PLAAT3 1843/4885PLAAT5 2200/4885PLAAT2 2064/4885

“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.