SCHEMBL6370775

SCHEMBL6370775

Cc1cc(N2CCCC2)c2ccc(OC3CCN(C)CC3)cc2n1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.53
NCF1 P14598 4/20 0.51
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
EZH2 Q15910 1/20 0.44
HRH3 Q9Y5N1 4/20 0.42
KMT2A Q03164 2/20 0.42
KCNH2 Q12809 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
BRD4 O60885 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
PDE10A Q9Y233 1/20 0.39

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
SCHEMBL6377939 0.83 NCF1 (0.48) CHRM4NCF1KMT2APDE10A
SCHEMBL5037477 0.83 MAOA (0.48) CHRM4NCF1MAOAMAOBKMT2A
Hydrochloric Acid SCHEMBL5040546 0.82 MAOA (0.50) CHRM4NCF1MAOAMAOBKMT2A
SCHEMBL5036263 0.80 NCF1 (0.61) NCF1KMT2AADRB2ADRB1MEN1
Hydrochloric Acid SCHEMBL6377887 0.79 NCF1 (0.59) NCF1KMT2AADRB2ADRB1MEN1
SCHEMBL5873086 0.79 NCF1 (0.63) NCF1KMT2AADRB2ADRB1MEN1
SCHEMBL5035794 0.78 NCF1 (0.52) CHRM4NCF1MAOAMAOBKMT2A
Hydrochloric Acid SCHEMBL5033349 0.77 NCF1 (0.51) CHRM4NCF1MAOAMAOBKMT2A
SCHEMBL5033185 0.77 NCF1 (0.57) CHRM4NCF1KMT2AADRB2ADRB1
SCHEMBL5040479 0.77 NCF1 (0.57) NCF1KMT2AADRB2ADRB1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CHRM4 2051/4885NCF1 1052/4885MAOA 1633/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R CHRM4 2051/4885NCF1 1052/4885MAOA 1633/4885

“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.