SCHEMBL5522722

SCHEMBL5522722

Cc1cc(N2CC[C@H](O)C2)c2cc(C)c(COc3ccc(C#N)cc3)cc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 4/20 0.40
HRH1 P35367 4/20 0.40
HRH3 Q9Y5N1 4/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CHRM4 P08173 1/20 0.38
IKBKB O14920 1/20 0.37
ADAM17 P78536 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
HSD17B10 Q99714 2/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL5522730 1.00 HRH2 (0.40) HRH2HRH1HRH3KMT2AMEN1
Hydrochloric Acid SCHEMBL5516351 0.99 HRH2 (0.39) HRH2HRH1HRH3KMT2AMEN1
Hydrochloric Acid SCHEMBL5516347 0.99 HRH2 (0.39) HRH2HRH1HRH3KMT2AMEN1
SCHEMBL5513269 0.88 PDE3B (0.43) HRH3KMT2AMEN1ALDH1A1PKM
SCHEMBL5513263 0.88 PDE3B (0.43) HRH3KMT2AMEN1ALDH1A1PKM
SCHEMBL5527247 0.87 CHRM4 (0.40) HRH3KMT2AMEN1ALDH1A1PKM
SCHEMBL5527245 0.87 CHRM4 (0.40) HRH3KMT2AMEN1ALDH1A1PKM
SCHEMBL5521278 0.86 PDE3B (0.41) HRH3KMT2AMEN1ALDH1A1PKM
SCHEMBL5521270 0.86 PDE3B (0.41) HRH3KMT2AMEN1ALDH1A1PKM
SCHEMBL5527339 0.86 NCF1 (0.44) HRH3KMT2AMEN1ALDH1A1PKM

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166589-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2007-01-23 US disclosed
US-20060148794-A1 Neuropeptide Y antagonist; antiarthritic agents; cardiovascular disorders; antidiabetic agents; kidney disorders; eating disorders; obesity KLUG MICHAEL G 2006-07-06 US disclosed
US-7064134-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2006-06-20 US disclosed
US-20060063758-A1 Neuropeptide Y antagonist; antiarthritc agents; cardiovascular disorders; antidiabetic agents; kidney diseases; eating disorders; obesity KLUG MICHAEL G 2006-03-23 US disclosed
US-7012073-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2006-03-14 US disclosed
US-20040259858-A1 Quinoline derivatives KLUG MICHAEL G (US) 2004-12-23 US disclosed
US-6787558-B2 NEUROPEPTIDE Y RECEPTOR ANTAGONISTS, FOR TREATING ARTHRITIS, CARDIOVASCULAR DISEASES, DIABETES, RENAL FAILURE, EATING DISORDERS AND OBESITY HOFFMANN-LA ROCHE INC. 2004-09-07 US disclosed
US-20030158179-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2003-08-21 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 (4 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-20030158179-A1 Quinoline derivatives RAB1A, GLS, REN HRH2 986/4885HRH1 711/4885HRH3 1061/4885
US-20060148794-A1 Neuropeptide Y antagonist; antiarthritic agents; cardiovascular disorders; antidiabetic agents; kidney disorders; eating disorders; obesity NPY1R, NPY2R, NPY4R HRH2 1204/4885HRH1 1782/4885HRH3 1682/4885
US-20040259858-A1 Quinoline derivatives RAB1A, GLS, REN HRH2 986/4885HRH1 711/4885HRH3 1061/4885
US-20060063758-A1 Neuropeptide Y antagonist; antiarthritc agents; cardiovascular disorders; antidiabetic agents; kidney diseases; eating disorders; obesity NPY1R, NPY2R, NPY4R HRH2 1565/4885HRH1 1848/4885HRH3 1906/4885

“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.