SCHEMBL5645871

SCHEMBL5645871

COc1ccc(-c2ccc(C(=O)Nc3ccc4cc(CN5CCCC5)cnc4c3)cn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 1.00
HTR2C P28335 10/20 0.82
ALDH1A1 P00352 1/20 0.55
FAAH O00519 1/20 0.53

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
SCHEMBL5646024 0.92 MCHR1 (1.00) MCHR1HTR2CALDH1A1FAAH
SCHEMBL2926587 0.91 MCHR1 (0.84) MCHR1HTR2CALDH1A1
SCHEMBL5645114 0.91 MCHR1 (0.98) MCHR1HTR2CALDH1A1FAAH
SCHEMBL2926947 0.91 MCHR1 (0.82) MCHR1HTR2CALDH1A1
SCHEMBL5645431 0.91 MCHR1 (1.00) MCHR1HTR2CFAAH
SCHEMBL5647747 0.90 MCHR1 (0.98) MCHR1HTR2CFAAH
SCHEMBL5648304 0.89 MCHR1 (1.00) MCHR1HTR2CALDH1A1FAAH
SCHEMBL5649866 0.89 MCHR1 (1.00) MCHR1HTR2C
SCHEMBL5647139 0.89 MCHR1 (1.00) MCHR1HTR2CFAAH
SCHEMBL5645500 0.88 MCHR1 (0.98) MCHR1HTR2CALDH1A1FAAH

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050209213-A1 Quinoline compound TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-22 US disclosed
EP-1447402-A1 QUINOLINE COMPOUND Takeda Chemical Industries, Ltd. (JP) 2004-08-18 EP 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-20050209213-A1 Quinoline compound MC1R, MC2R, TYR MCHR1 4/4885HTR2C 36/4885ALDH1A1 1174/4885

“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.