SCHEMBL5873786

SCHEMBL5873786

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.51
KCNJ6 P48051 2/20 0.35
KCNJ5 P48544 2/20 0.35
KCNJ3 P48549 2/20 0.35
NTRK1 P04629 1/20 0.35
NTRK2 Q16620 1/20 0.35
IDH1 O75874 1/20 0.34
MCHR2 Q969V1 1/20 0.34
POLB P06746 1/20 0.34
NAMPT P43490 1/20 0.34
ABL1 P00519 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33

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
SCHEMBL5873511 0.88 MCHR1 (0.57) MCHR1KCNJ6KCNJ5KCNJ3
SCHEMBL5873498 0.86 MCHR1 (0.51) MCHR1IDH1MCHR2
SCHEMBL5873747 0.81 MCHR1 (0.77) MCHR1
SCHEMBL5873526 0.79 MCHR1 (0.61) MCHR1
SCHEMBL5873629 0.77 MCHR1 (0.53) MCHR1MCHR2
SCHEMBL5873632 0.77 MCHR1 (0.53) MCHR1MCHR2
SCHEMBL5873663 0.75 MCHR1 (0.63) MCHR1
SCHEMBL5873615 0.71 MCHR1 (0.61) MCHR1MCHR2
SCHEMBL5873550 0.71 MCHR1 (0.61) MCHR1ABL1
SCHEMBL5873534 0.70 MCHR1 (0.56) MCHR1KCNJ6KCNJ3POLB

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 1/4885KCNJ6 3835/4885KCNJ5 2704/4885

“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.