SCHEMBL5647358

SCHEMBL5647358

CCc1c(NC(=O)c2ccc(Br)cc2)ccc2cc(CO)cnc12

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.57
HTR2C P28335 3/20 0.44
TDP1 Q9NUW8 1/20 0.42
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL14587880 0.90 MCHR1 (0.56) MCHR1HTR2CTDP1CCNA2CDK2
Hydrochloric Acid SCHEMBL5644425 0.89 MCHR1 (0.55) MCHR1HTR2CTDP1CCNA2CDK2
SCHEMBL5648915 0.87 MCHR1 (0.57) MCHR1HTR2C
SCHEMBL27593327 0.86 MCHR1 (0.59) MCHR1HTR2CTDP1
SCHEMBL5649452 0.85 MCHR1 (0.79) MCHR1HTR2C
SCHEMBL5647423 0.84 MCHR1 (0.58) MCHR1HTR2CTDP1
SCHEMBL14587881 0.77 MCHR1 (0.57) MCHR1HTR2C
Hydrochloric Acid SCHEMBL5648012 0.76 MCHR1 (0.56) MCHR1HTR2C
SCHEMBL5648007 0.76 HTR2C (0.56) MCHR1HTR2CTDP1CCNA2CDK2
SCHEMBL14587879 0.74 MCHR1 (0.57) MCHR1HTR2CTDP1

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 6 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
CN-1585751-A Quinoline compound TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-02-23 CN 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 36/4885TDP1 4684/4885

“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.