SCHEMBL5035781

SCHEMBL5035781

Cc1cc(N2CCCCCC2)c2ccc(OCc3ccncc3)cc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 5/20 0.52
FGFR1 P11362 2/20 0.48
PRKDC P78527 1/20 0.43
MAOA P21397 1/20 0.42
CSF1R P07333 1/20 0.41
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
METTL3 Q86U44 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
NFKB1 P19838 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38

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 SCHEMBL5042681 0.99 NCF1 (0.51) NCF1FGFR1PRKDCMAOACSF1R
SCHEMBL5037370 0.99 NCF1 (0.50) NCF1FGFR1PRKDCMAOACSF1R
Hydrochloric Acid SCHEMBL5040516 0.98 NCF1 (0.49) NCF1FGFR1PRKDCMAOACSF1R
SCHEMBL5037448 0.90 NCF1 (0.63) NCF1ADRB2ADRB1MAPTCYP3A4
Hydrochloric Acid SCHEMBL5040456 0.89 NCF1 (0.62) NCF1ADRB2ADRB1MAPTCYP3A4
SCHEMBL5033351 0.89 NCF1 (0.61) NCF1ADRB2ADRB1MAPTCYP3A4
SCHEMBL5037686 0.88 NCF1 (0.51) NCF1PRKDCMAOAMAPTNPC1
SCHEMBL5036246 0.88 NCF1 (0.50) NCF1MAPTMEN1NPC1RAB9A
SCHEMBL5524115 0.88 NCF1 (0.50) NCF1FGFR1PRKDCCSF1RADRB2
Hydrochloric Acid SCHEMBL5042716 0.87 NCF1 (0.50) NCF1PRKDCMAOAMAPTNPC1

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 9 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 claimed
US-20050049413-A1 Quinoline derivatives MUELLER WERNER (CH) 2005-03-03 US claimed
US-20020198194-A1 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 US claimed
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
EP-1395564-A1 QUINOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2004-03-10 EP disclosed
US-20020198194-A1 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 US disclosed
WO-2002094789-A1 QUINOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2002-11-28 WO 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 1052/4885FGFR1 398/4885PRKDC 4750/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R NCF1 1052/4885FGFR1 398/4885PRKDC 4750/4885

“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.