SCHEMBL5036066

SCHEMBL5036066

Cc1cc(N2CCCC2)c2ccc(OCC(C)C)cc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 6/20 0.53
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
MAPT P10636 2/20 0.41
CHRM4 P08173 1/20 0.40
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
MAOA P21397 1/20 0.39
KDM4E B2RXH2 2/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPY5R Q15761 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
TSHR P16473 1/20 0.37
TUBB4A P04350 1/20 0.37

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 SCHEMBL5033319 0.99 NCF1 (0.52) NCF1ADRB2ADRB1MAPTCHRM4
SCHEMBL5033185 0.86 NCF1 (0.57) NCF1ADRB2ADRB1MAPTCHRM4
SCHEMBL5040479 0.84 NCF1 (0.57) NCF1ADRB2ADRB1MAPTKMT2A
SCHEMBL5037445 0.83 NCF1 (0.53) NCF1ADRB2ADRB1MAPTCHRM4
SCHEMBL5037355 0.83 NCF1 (0.53) NCF1ADRB2ADRB1MAPTCHRM4
Hydrochloric Acid SCHEMBL5036055 0.82 NCF1 (0.56) NCF1ADRB2ADRB1MAPTKMT2A
Hydrochloric Acid SCHEMBL5037491 0.82 NCF1 (0.52) NCF1ADRB2ADRB1MAPTCHRM4
SCHEMBL5035979 0.82 NCF1 (0.52) NCF1ADRB2ADRB1MAPTCHRM4
SCHEMBL5035794 0.82 NCF1 (0.52) NCF1ADRB2ADRB1MAPTCHRM4
SCHEMBL5036263 0.82 NCF1 (0.61) NCF1ADRB2ADRB1MAPTKMT2A

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 1052/4885ADRB2 709/4885ADRB1 532/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R NCF1 1052/4885ADRB2 709/4885ADRB1 532/4885

“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.