SCHEMBL5873511

SCHEMBL5873511

Cc1cc2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2nc1N1CC2CCC1C2

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.57
MTOR P42345 1/20 0.43
BAZ1A Q9NRL2 1/20 0.41
EPHX2 P34913 2/20 0.41
MAPT P10636 2/20 0.41
KCNJ6 P48051 2/20 0.40
KCNJ3 P48549 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNJ5 P48544 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
SCHEMBL5873786 0.88 MCHR1 (0.51) MCHR1KCNJ6KCNJ3KCNJ5
SCHEMBL5873498 0.88 MCHR1 (0.51) MCHR1EPHX2
SCHEMBL5873629 0.88 MCHR1 (0.53) MCHR1
SCHEMBL5873632 0.88 MCHR1 (0.53) MCHR1
SCHEMBL5873747 0.87 MCHR1 (0.77) MCHR1
SCHEMBL5873538 0.79 MCHR1 (0.51) MCHR1EPHX2MAPTKCNJ6KCNJ3
SCHEMBL5873527 0.79 MCHR1 (0.52) MCHR1EPHX2MAPTKCNJ6KCNJ3
SCHEMBL5873634 0.79 MCHR1 (0.75) MCHR1
SCHEMBL5873560 0.79 MCHR1 (0.46) MCHR1RAB9A
SCHEMBL5873526 0.78 MCHR1 (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7084156-B2 2-Aminoquinoline compounds MERCK & CO., INC. (US) 2006-08-01 US claimed
US-20050026915-A1 2-Aminoquinoline compounds MERCK SHARP & DOHME CORP. 2005-02-03 US claimed

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-20050026915-A1 2-Aminoquinoline compounds MCHR1, MCHR2, MC5R MCHR1 1/4885MTOR 1452/4885BAZ1A 4397/4885

“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.