SCHEMBL5040488

SCHEMBL5040488

COC1CCN(c2cc(C)nc3cc(OCc4ccccc4)ccc23)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 4/20 0.44
CHRM4 P08173 1/20 0.44
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP8B1 Q9UNU6 1/20 0.41
MAPT P10636 1/20 0.41
KIT P10721 1/20 0.41
MAOB P27338 1/20 0.41
KCNH2 Q12809 1/20 0.41
MCHR1 Q99705 1/20 0.41
PARP14 Q460N5 1/20 0.41
ABL1 P00519 1/20 0.40
FGFR1 P11362 1/20 0.40
FLT1 P17948 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL5040485 1.00 NCF1 (0.44) NCF1CHRM4KMT2AMEN1ALDH1A1
SCHEMBL5040526 1.00 NCF1 (0.44) NCF1CHRM4KMT2AMEN1ALDH1A1
SCHEMBL5037593 0.90 CHRM4 (0.41) NCF1CHRM4KMT2AMEN1ALDH1A1
SCHEMBL5037590 0.90 CHRM4 (0.41) NCF1CHRM4KMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL5035823 0.90 CHRM4 (0.42) NCF1CHRM4KMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL5035821 0.90 CHRM4 (0.42) NCF1CHRM4KMT2AMEN1ALDH1A1
SCHEMBL5037412 0.89 CHRM4 (0.42) NCF1CHRM4KMT2AMEN1ALDH1A1
SCHEMBL5037411 0.89 CHRM4 (0.42) NCF1CHRM4KMT2AMEN1ALDH1A1
SCHEMBL5037545 0.88 CHRM4 (0.40) NCF1CHRM4KMT2AMEN1ALDH1A1
SCHEMBL5037542 0.88 CHRM4 (0.40) NCF1CHRM4KMT2AMEN1ALDH1A1

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 1052/4885CHRM4 2051/4885KMT2A 2649/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R NCF1 1052/4885CHRM4 2051/4885KMT2A 2649/4885

“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.