SCHEMBL5873493

SCHEMBL5873493

Nc1ccc2nc(N3CC4CCC3CC4)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.46
PLAU P00749 1/20 0.44
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
CASP6 P55212 1/20 0.41
HRH3 Q9Y5N1 10/20 0.40
MAP3K12 Q12852 1/20 0.37
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
F2 P00734 1/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
MAOA P21397 1/20 0.36
DRD1 P21728 1/20 0.36
ACHE P22303 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36

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
SCHEMBL6559990 0.94 MCHR1 (0.43) MCHR1PLAULMNAKDM4EPOLB
SCHEMBL5873479 0.78 ALDH1A1 (0.54) MCHR1LMNAHTR1ASLC6A4HTR3A
SCHEMBL4847239 0.77 CHRNA7 (0.46) LMNAKDM4EPOLBCASP6KCNH2
SCHEMBL6558013 0.73 ALDH1A1 (0.49) MCHR1LMNAPOLBHTR1ASLC6A4
SCHEMBL5873732 0.72 MCHR1 (0.43) MCHR1HRH3KDRKCNH2PDE10A
SCHEMBL5873499 0.71 MCHR1 (0.55) MCHR1LMNAKDM4EHRH3HTT
SCHEMBL6559810 0.71 MCHR1 (0.42) MCHR1PLAUHRH3
SCHEMBL6557970 0.71 MCHR1 (0.59) MCHR1HRH3
SCHEMBL29209061 0.70 KDM4E (0.50) PLAULMNAKDM4EPOLBCASP6
SCHEMBL5873634 0.69 MCHR1 (0.75) MCHR1HRH3

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 disclosed
US-20050026915-A1 2-Aminoquinoline compounds MERCK SHARP & DOHME CORP. 2005-02-03 US disclosed
EP-1450801-A2 2-AMINOQUINOLINE COMPOUNDS Merck & Co., Inc. (US) 2004-09-01 EP disclosed
WO-2003045313-A2 2-AMINOQUINOLINE COMPOUNDS MERCK & CO. INC. (US) 2003-06-05 WO disclosed

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 1/4885PLAU 4780/4885LMNA 4172/4885

“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.