SCHEMBL6310347

SCHEMBL6310347

CCCc1cc(OC)c2cc(C(=O)NCc3ccc(C(F)(F)F)cc3)ccc2n1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.64
PPARA Q07869 14/20 0.52
PPARD Q03181 6/20 0.52
PPARG P37231 8/20 0.52
PSEN1 P49768 2/20 0.50
PSEN2 P49810 2/20 0.50
APH1B Q8WW43 2/20 0.50
NCSTN Q92542 2/20 0.50
APH1A Q96BI3 2/20 0.50
PSENEN Q9NZ42 2/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
EPHX2 P34913 1/20 0.50

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
SCHEMBL6310485 0.87 MCHR1 (0.84) MCHR1PPARAPPARGEPHX2
SCHEMBL6204138 0.77 MCHR1 (0.50) MCHR1ALDH1A1
SCHEMBL12426654 0.74 PPARA (0.57) PPARAPPARDPPARGEPHX2
SCHEMBL6203321 0.73 HSD17B2 (0.51) MCHR1ALDH1A1HPGD
SCHEMBL6221795 0.72 S1PR1 (0.50) MCHR1PSEN1PSEN2APH1BNCSTN
SCHEMBL6316880 0.72 MCHR1 (1.00) MCHR1
SCHEMBL2086621 0.71 PPARA (0.69) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL5974323 0.71 PPARA (0.72) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL6221751 0.71 MCHR1 (0.47) MCHR1ALDH1A1HPGD
SCHEMBL27077360 0.70 TACR3 (0.55) MCHR1

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-20050009815-A1 4-Aminoquinoline compounds DEVITA ROBERT J (US) 2005-01-13 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-20050009815-A1 4-Aminoquinoline compounds MCHR1, MCHR2, MC5R MCHR1 1/4885PPARA 4024/4885PPARD 3797/4885

“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.