SCHEMBL5873607

SCHEMBL5873607

O=C(CCc1nc2ccccc2s1)Nc1ccc2nc(N3CC4CCC3CC4)ccc2c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.63
MAPT P10636 6/20 0.51
POLB P06746 5/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
RECQL P46063 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL5873573 0.95 MCHR1 (0.64) MCHR1MAPTPOLBMEN1KMT2A
SCHEMBL5873484 0.80 MCHR1 (0.79) MCHR1
SCHEMBL5873584 0.77 MCHR1 (0.74) MCHR1
SCHEMBL5873626 0.77 MCHR1 (0.79) MCHR1
SCHEMBL5873628 0.75 MCHR1 (0.53) MCHR1MAPTPOLBMEN1KMT2A
SCHEMBL5873591 0.73 MCHR1 (1.00) MCHR1
SCHEMBL5873563 0.72 MCHR1 (0.65) MCHR1MEN1KMT2A
SCHEMBL5873589 0.72 MCHR1 (0.79) MCHR1
SCHEMBL5873704 0.72 MCHR1 (0.62) MCHR1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6560080 0.70 MCHR1 (0.54) MCHR1MAPTPOLBMEN1KMT2A

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 4 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
EP-1450801-A2 2-AMINOQUINOLINE COMPOUNDS Merck & Co., Inc. (US) 2004-09-01 EP claimed
WO-2003045313-A2 2-AMINOQUINOLINE COMPOUNDS MERCK & CO. INC. (US) 2003-06-05 WO 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 1/4885MAPT 545/4885POLB 4208/4885

“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.