SCHEMBL5873541

SCHEMBL5873541

O=C(Nc1ccc2c(c1)CCC2)Nc1ccc2nc(N3CC4CCC3CC4)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.55
NPC1 O15118 14/20 0.46
RAB9A P51151 14/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 3/20 0.45
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
PLAU P00749 1/20 0.41

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
SCHEMBL5873704 0.82 MCHR1 (0.62) MCHR1NPC1RAB9AMEN1KMT2A
SCHEMBL5873688 0.82 MCHR1 (0.55) MCHR1NPC1RAB9AMEN1KMT2A
SCHEMBL5873575 0.82 MCHR1 (0.55) MCHR1NPC1RAB9AMEN1KMT2A
SCHEMBL5873634 0.82 MCHR1 (0.75) MCHR1
SCHEMBL5873481 0.82 MCHR1 (0.55) MCHR1NPC1RAB9AMEN1KMT2A
SCHEMBL5873563 0.80 MCHR1 (0.65) MCHR1NPC1RAB9AMEN1KMT2A
SCHEMBL5873646 0.80 MCHR1 (0.59) MCHR1
SCHEMBL5873628 0.80 MCHR1 (0.53) MCHR1NPC1RAB9AMEN1KMT2A
SCHEMBL5873685 0.80 MCHR1 (0.59) MCHR1
SCHEMBL6559810 0.79 MCHR1 (0.42) MCHR1PLAU

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 1/4885NPC1 1593/4885RAB9A 1226/4885

“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.