SCHEMBL5040436

SCHEMBL5040436

Cc1cc(N2CCCC2)c2ccc(OCc3ccc(C#N)nc3)cc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 5/20 0.45
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GRM2 Q14416 1/20 0.37
CHRM4 P08173 1/20 0.37
POLB P06746 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
METTL3 Q86U44 3/20 0.36
MAPT P10636 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35

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 SCHEMBL5035731 0.99 NCF1 (0.44) NCF1TSHRHSD17B10L3MBTL1ALDH1A1
SCHEMBL5040670 0.89 NCF1 (0.49) NCF1ALDH1A1CHRM4ADRB2ADRB1
SCHEMBL5036075 0.88 MAOB (0.47) NCF1TSHRALDH1A1POLBMAPT
Hydrochloric Acid SCHEMBL5036273 0.88 NCF1 (0.48) NCF1ALDH1A1CHRM4ADRB2ADRB1
SCHEMBL5035944 0.87 HRH3 (0.48) NCF1TSHRL3MBTL1ALDH1A1POLB
SCHEMBL5037525 0.87 HRH3 (0.48) NCF1TSHRL3MBTL1ALDH1A1POLB
SCHEMBL5040461 0.87 NCF1 (0.47) NCF1HSD17B10ALDH1A1CHRM4ADRB2
Hydrochloric Acid SCHEMBL5037489 0.86 HRH3 (0.47) NCF1TSHRL3MBTL1ALDH1A1POLB
Hydrochloric Acid SCHEMBL5042753 0.86 HRH3 (0.47) NCF1TSHRL3MBTL1ALDH1A1POLB
SCHEMBL5036269 0.86 NCF1 (0.46) NCF1ALDH1A1CHRM4POLBADRB2

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 1052/4885TSHR 203/4885HSD17B10 3906/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R NCF1 1052/4885TSHR 203/4885HSD17B10 3906/4885

“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.