SCHEMBL5873784

SCHEMBL5873784

Cc1cc(N(C)C)nc2ccc(NC(=O)C=Cc3ccc(C(F)(F)F)cc3)cc12

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.68
MAPT P10636 1/20 0.64
CHRM2 P08172 1/20 0.63
ADRA2A P08913 1/20 0.63
CHRM1 P11229 1/20 0.63
ADRA2B P18089 1/20 0.63
ADRA2C P18825 1/20 0.63
DRD1 P21728 1/20 0.63
HRH2 P25021 1/20 0.63
HTR1B P28222 1/20 0.63
HTR2A P28223 1/20 0.63
HTR2C P28335 1/20 0.63
DRD3 P35462 1/20 0.63
SLC6A3 Q01959 1/20 0.63
MCHR2 Q969V1 1/20 0.63
TP53BP1 Q12888 1/20 0.63

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
SCHEMBL5873777 1.00 MCHR1 (0.68) MCHR1MAPTCHRM2ADRA2ACHRM1
Hydrochloric Acid SCHEMBL5873686 0.99 MCHR1 (0.67) MCHR1MAPTCHRM2ADRA2ACHRM1
Hydrochloric Acid SCHEMBL5873681 0.99 MCHR1 (0.67) MCHR1MAPTCHRM2ADRA2ACHRM1
SCHEMBL5873644 0.85 MCHR1 (0.63) MCHR1
SCHEMBL5873650 0.85 MCHR1 (0.63) MCHR1
SCHEMBL6204654 0.81 MCHR1 (1.00) MCHR1MAPT
SCHEMBL6204655 0.81 MCHR1 (1.00) MCHR1MAPT
SCHEMBL6203995 0.79 MCHR1 (1.00) MCHR1MCHR2
SCHEMBL6203989 0.79 MCHR1 (1.00) MCHR1MCHR2
SCHEMBL5873520 0.78 MCHR1 (0.74) MCHR1

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 545/4885CHRM2 59/4885

“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.