SCHEMBL5529404

SCHEMBL5529404

COc1cc2c(N3CCCC3)cc(C)nc2cc1CO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 6/20 0.51
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
EHMT2 Q96KQ7 2/20 0.40
EHMT1 Q9H9B1 2/20 0.40
KDM4E B2RXH2 2/20 0.40
NTSR1 P30989 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
STAT6 P42226 1/20 0.39
KMT5A Q9NQR1 1/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL5515836 0.84 NCF1 (0.56) NCF1KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL5529565 0.83 NCF1 (0.58) NCF1KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL5519032 0.82 NCF1 (0.53) NCF1KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL5042769 0.78 NCF1 (0.51) NCF1KMT2AALDH1A1MEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL5037457 0.77 NCF1 (0.50) NCF1KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL5522383 0.76 MAPT (0.46) ALDH1A1SMN1; SMN2MAPTKDM4EL3MBTL1
SCHEMBL22043700 0.75 MAPT (0.54) KMT2AALDH1A1MEN1SMN1; SMN2MAPT
SCHEMBL5514435 0.74 NCF1 (0.59) NCF1KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL5513326 0.73 NCF1 (0.62) NCF1KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL5401985 0.72 KDM4E (0.57) NCF1KMT2AALDH1A1MEN1SMN1; SMN2

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 10 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
EP-1432421-A1 QUINOLINE DERIVATIVES AS NEUROPEPTIDE Y ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2004-06-30 EP disclosed
US-20030158179-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2003-08-21 US disclosed
WO-2003028726-A1 QUINOLINE DERIVATIVES AS NEUROPEPTIDE Y ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-10 WO 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 NCF1 1277/4885KMT2A 1658/4885ALDH1A1 700/4885
US-20060148794-A1 Neuropeptide Y antagonist; antiarthritic agents; cardiovascular disorders; antidiabetic agents; kidney disorders; eating disorders; obesity NPY1R, NPY2R, NPY4R NCF1 1911/4885KMT2A 2167/4885ALDH1A1 3610/4885
US-20040259858-A1 Quinoline derivatives RAB1A, GLS, REN NCF1 1277/4885KMT2A 1658/4885ALDH1A1 700/4885
US-20060063758-A1 Neuropeptide Y antagonist; antiarthritc agents; cardiovascular disorders; antidiabetic agents; kidney diseases; eating disorders; obesity NPY1R, NPY2R, NPY4R NCF1 1865/4885KMT2A 992/4885ALDH1A1 4005/4885

“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.