SCHEMBL5645330

SCHEMBL5645330

COc1cc2cc(CN3CCCC3)cnc2cc1NC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.52
MCHR1 Q99705 14/20 0.52
HTR2C P28335 7/20 0.52
CHEK1 O14757 2/20 0.45

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
SCHEMBL5651185 0.99 FAAH (0.51) FAAHMCHR1HTR2CCHEK1
SCHEMBL5651127 0.84 MCHR1 (0.66) FAAHMCHR1HTR2C
SCHEMBL5646136 0.83 IRAK4 (0.47) FAAH
SCHEMBL5644296 0.82 MCHR1 (0.69) MCHR1HTR2C
SCHEMBL14587877 0.82 GAA (0.43) FAAH
SCHEMBL5649106 0.81 MCHR1 (0.68) MCHR1HTR2C
Hydrochloric Acid SCHEMBL5646561 0.81 GAA (0.42) FAAH
SCHEMBL5645610 0.78 MCHR1 (0.45) FAAHMCHR1HTR2C
SCHEMBL5644738 0.78 PDGFRB (0.42)
SCHEMBL5646416 0.77 PDGFRB (0.47) FAAHMCHR1HTR2C

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 FAAH 591/4885MCHR1 4/4885HTR2C 36/4885

“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.