SCHEMBL5042663

SCHEMBL5042663

Cc1cc(N2CCCC2)c2cc(F)c(OCC3CC3)cc2n1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.44
NCF1 P14598 2/20 0.44
GRM2 Q14416 4/20 0.42
FFAR4 Q5NUL3 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4D Q08499 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
Hydrochloric Acid SCHEMBL5042688 0.99 CHRM4 (0.44) CHRM4NCF1GRM2FFAR4KMT2A
SCHEMBL5036061 0.80 NCF1 (0.54) CHRM4NCF1GRM2
SCHEMBL5035794 0.79 NCF1 (0.52) CHRM4NCF1KMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL5033349 0.78 NCF1 (0.51) CHRM4NCF1KMT2AMEN1ALDH1A1
SCHEMBL5033277 0.78 TSHR (0.46) NCF1ALDH1A1
SCHEMBL5036138 0.77 NMT1 (0.47) CHRM4NCF1KMT2A
SCHEMBL5033312 0.77 NCF1 (0.45) CHRM4NCF1KMT2A
SCHEMBL5040453 0.77 NCF1 (0.45) NCF1ALDH1A1
SCHEMBL5133453 0.76 HTR6 (0.47) CHRM4NCF1ALDH1A1
SCHEMBL5042845 0.76 NCF1 (0.39) CHRM4NCF1GRM2ALDH1A1

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 CHRM4 2051/4885NCF1 1052/4885GRM2 2012/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R CHRM4 2051/4885NCF1 1052/4885GRM2 2012/4885

“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.