SCHEMBL5632863

SCHEMBL5632863

CCc1cnc(N(CCCOc2ncc(C(=O)O)cc2Cl)Cc2ccc(C(F)(F)F)cc2C(F)(F)F)nc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 8/20 0.40
PPARD Q03181 5/20 0.39
PPARA Q07869 4/20 0.39
PPARG P37231 3/20 0.39
POLQ O75417 3/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
SCN9A Q15858 1/20 0.34

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
SCHEMBL14422830 0.85 PPARD (0.39) PPARDPPARAPPARGPOLQRXRA
SCHEMBL5702282 0.83 BCHE (0.41) MRGPRX4PPARDPPARAPPARGPOLQ
SCHEMBL5632047 0.80 PPARG (0.40) MRGPRX4PPARDPPARAPPARGPOLQ
SCHEMBL5471829 0.80 PPARG (0.49) PPARDPPARAPPARGPOLQRXRA
SCHEMBL5702285 0.79 PPARD (0.40) MRGPRX4PPARDPPARAPPARGPOLQ
SCHEMBL5632042 0.79 POLQ (0.39) PPARDPPARAPPARGPOLQ
SCHEMBL5702294 0.77 CXCR2 (0.41) PPARDPPARAPPARGPOLQTRPM8
SCHEMBL14422851 0.77 PPARD (0.38) MRGPRX4PPARDPPARAPPARGPOLQ
SCHEMBL14422838 0.76 NR1H2 (0.44) PPARDPPARAPPARG
SCHEMBL14422839 0.75 AKR1C3 (0.40) PPARDPPARAPPARGPOLQ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208026-A1 N-Containing Heteroaromatic Compounds As Modulators Of Ppars And Methods Of Treating Metabolic Disorders KALYPSYS, INC. 2007-09-06 US disclosed
US-20070208026-A1 N-Containing Heteroaromatic Compounds As Modulators Of Ppars And Methods Of Treating Metabolic Disorders KALYPSYS, INC. 2007-09-06 US disclosed
US-20070208026-A1 N-Containing Heteroaromatic Compounds As Modulators Of Ppars And Methods Of Treating Metabolic Disorders KALYPSYS, INC. 2007-09-06 US disclosed
WO-2004092130-A2 N-CONTAINING HETEROAROMATIC COMPOUNDS AS MODULATORS OF PPARS AND METHODS OF TREATING METABOLIC DISORDERS KALYPSYS, INC. (US) 2004-10-28 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-20070208026-A1 N-Containing Heteroaromatic Compounds As Modulators Of Ppars And Methods Of Treating Metabolic Disorders PPARG, PPARA, PPARD MRGPRX4 2206/4885PPARD 3/4885PPARA 2/4885

“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.