SCHEMBL5042845

SCHEMBL5042845

Cc1cc(N2CCCC2)c2cc(F)c(OCc3ccc(C#N)nc3)cc2n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 3/20 0.39
CHRM4 P08173 1/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
GRM2 Q14416 1/20 0.37
TSHR P16473 2/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CHEK1 O14757 1/20 0.36
CSF1R P07333 6/20 0.35
KIT P10721 6/20 0.35
POLB P06746 1/20 0.34
HPGD P15428 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL5033277 0.88 TSHR (0.46) NCF1TSHRMAPTRECQLNPSR1
SCHEMBL5040436 0.85 NCF1 (0.45) NCF1CHRM4ALOX5APFEN1GRM2
SCHEMBL5037485 0.84 ALOX5AP (0.35) CHRM4ALOX5APFEN1GRM2TSHR
SCHEMBL5037480 0.84 ALOX5AP (0.35) CHRM4ALOX5APFEN1GRM2TSHR
Hydrochloric Acid SCHEMBL5035731 0.84 NCF1 (0.44) NCF1CHRM4ALOX5APFEN1GRM2
SCHEMBL5036318 0.83 HTR6 (0.51) NCF1ALOX5APFEN1CSF1RKIT
SCHEMBL5036061 0.82 NCF1 (0.54) NCF1CHRM4GRM2MAPK1
SCHEMBL5133453 0.82 HTR6 (0.47) NCF1CHRM4CHEK1ALDH1A1TDP1
SCHEMBL5040453 0.80 NCF1 (0.45) NCF1TSHRNPSR1HPGDALDH1A1
SCHEMBL5521433 0.79 NCF1 (0.42) NCF1TSHRMAPTRECQLNPSR1

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 1052/4885CHRM4 2051/4885ALOX5AP 1971/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R NCF1 1052/4885CHRM4 2051/4885ALOX5AP 1971/4885

“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.