SCHEMBL5033346

SCHEMBL5033346

Cc1cc(N2CCC(O)C2)c2ccc(OCc3ccccc3)cc2n1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 5/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP8B1 Q9UNU6 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
CHRM4 P08173 1/20 0.41

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
SCHEMBL5036125 1.00 NCF1 (0.45) NCF1NPC1RAB9ACYP8B1KMT2A
SCHEMBL5033338 1.00 NCF1 (0.45) NCF1NPC1RAB9ACYP8B1KMT2A
SCHEMBL5042786 0.88 MAOB (0.42) RAB9AKMT2AMEN1ALDH1A1MAPT
SCHEMBL5042779 0.88 MAOB (0.42) RAB9AKMT2AMEN1ALDH1A1MAPT
SCHEMBL5042788 0.88 MAOB (0.42) RAB9AKMT2AMEN1ALDH1A1MAPT
SCHEMBL5040526 0.87 NCF1 (0.44) NCF1CYP8B1KMT2AMEN1ALDH1A1
SCHEMBL5040488 0.87 NCF1 (0.44) NCF1CYP8B1KMT2AMEN1ALDH1A1
SCHEMBL5040485 0.87 NCF1 (0.44) NCF1CYP8B1KMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL5491468 0.87 MAOB (0.41) RAB9AKMT2AMEN1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL5491464 0.87 MAOB (0.41) RAB9AKMT2AMEN1ALDH1A1MAPT

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 1052/4885NPC1 3444/4885RAB9A 760/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R NCF1 1052/4885NPC1 3444/4885RAB9A 760/4885

“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.