SCHEMBL5033382

SCHEMBL5033382

Cc1cc(N2CCCC2)c2cc(F)c(O)cc2n1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 6/20 0.54
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
NPY5R Q15761 1/20 0.40
CHRM4 P08173 1/20 0.39
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL5042731 0.83 NCF1 (0.54) NCF1ADRB2ADRB1NPY5RKMT2A
Hydrochloric Acid SCHEMBL5042755 0.82 NCF1 (0.52) NCF1ADRB2ADRB1NPY5RKMT2A
SCHEMBL5035849 0.77 NCF1 (0.64) NCF1ADRB2ADRB1NPY5RKMT2A
SCHEMBL5037479 0.76 CCNE2 (0.39) NCF1ADRB2ADRB1
SCHEMBL5037476 0.76 CCNE2 (0.39) NCF1ADRB2ADRB1
SCHEMBL5040538 0.75 NCF1 (0.67) NCF1ADRB2ADRB1NPY5RKMT2A
SCHEMBL5025412 0.75 NCF1 (0.57) NCF1ADRB2ADRB1NPY5RKMT2A
Hydrochloric Acid SCHEMBL5040427 0.74 NCF1 (0.65) NCF1ADRB2ADRB1NPY5RKMT2A
SCHEMBL5042663 0.74 CHRM4 (0.44) NCF1CHRM4KMT2AMEN1ALDH1A1
SCHEMBL5024357 0.74 NCF1 (0.56) NCF1ADRB2ADRB1NPY5RKMT2A

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
EP-1395564-B1 QUINOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR HOFFMANN LA ROCHE (CH) 2008-02-27 EP disclosed
US-20050049413-A1 Quinoline derivatives MUELLER WERNER (CH) 2005-03-03 US disclosed
US-6818767-B2 NEUROPEPTIDE Y (NPY) ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF ARTHRITIS, CARDIOVASCULAR DISEASES, DIABETES, RENAL FAILURE, EATING DISORDERS, OR OBESITY HOFFMANN-LA ROCHE INC. 2004-11-16 US disclosed
US-20020198194-A1 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 US 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 (2 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-20020198194-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R NCF1 1052/4885ADRB2 709/4885ADRB1 532/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R NCF1 1052/4885ADRB2 709/4885ADRB1 532/4885

“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.