SCHEMBL5037441

SCHEMBL5037441

Cc1cc(N2CCCC2)c2ccc(OCc3ccccc3C(F)(F)F)cc2n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 6/20 0.50
MAOB P27338 4/20 0.42
MAOA P21397 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
PRMT5 O14744 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TTR P02766 1/20 0.40
MAPT P10636 1/20 0.39
ADAM17 P78536 2/20 0.39
ADAM10 O14672 1/20 0.38
MMP1 P03956 1/20 0.38
RBP4 P02753 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 SCHEMBL6377299 0.99 NCF1 (0.49) NCF1MAOBMAOAADRB2ADRB1
SCHEMBL5040484 0.85 NCF1 (0.53) NCF1ADRB2ADRB1MEN1KMT2A
Hydrochloric Acid SCHEMBL5037584 0.84 NCF1 (0.52) NCF1ADRB2ADRB1MEN1KMT2A
SCHEMBL5037560 0.84 NCF1 (0.52) NCF1ADRB2ADRB1MAPTADAM17
Hydrochloric Acid SCHEMBL5037460 0.83 NCF1 (0.51) NCF1ADRB2ADRB1MAPTADAM17
SCHEMBL5040517 0.83 NCF1 (0.48) NCF1ADRB2ADRB1KMT2AMAPT
SCHEMBL5035817 0.82 NCF1 (0.50) NCF1ADRB2ADRB1KMT2AMAPT
Hydrochloric Acid SCHEMBL5036116 0.82 NCF1 (0.47) NCF1ADRB2ADRB1KMT2AMAPT
SCHEMBL5037487 0.82 NCF1 (0.50) NCF1MAOBADRB2ADRB1MAPT
SCHEMBL5033351 0.82 NCF1 (0.61) NCF1ADRB2ADRB1MAPT

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 1052/4885MAOB 1279/4885MAOA 1633/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R NCF1 1052/4885MAOB 1279/4885MAOA 1633/4885

“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.