SCHEMBL5873560

SCHEMBL5873560

CCC(=O)N(c1ccc(C(F)(F)F)cc1)c1ccc2nc(N3CC4CCC3C4)c(C)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.46
CCRL2 O00421 12/20 0.36
USP2 O75604 1/20 0.36
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
AGTR2 P50052 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 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
SCHEMBL5873632 0.75 MCHR1 (0.53) MCHR1
SCHEMBL6557970 0.70 MCHR1 (0.59) MCHR1
SCHEMBL5873498 0.68 MCHR1 (0.51) MCHR1
SCHEMBL6559780 0.67 MCHR1 (0.49) MCHR1NPC1RAB9AAGTR2
SCHEMBL22946391 0.64 NPC1 (0.47) NPC1RAB9AOPRM1
SCHEMBL6557606 0.60 MCHR1 (0.47) MCHR1
SCHEMBL28191917 0.58 KIF11 (0.41)
SCHEMBL5873585 0.58 MCHR1 (0.42) MCHR1
SCHEMBL21962791 0.58 MEN1 (0.42) NPC1RAB9A
SCHEMBL5873527 0.57 MCHR1 (0.52) MCHR1RAB9A

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 1/4885CCRL2 1745/4885USP2 3247/4885

“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.