SCHEMBL1897272

SCHEMBL1897272

[c]1cc(-c2cnc3ccccc3c2)[nH]n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.49
PDGFRB P09619 4/20 0.49
PDGFRA P16234 4/20 0.49
CYP2A6 P11509 1/20 0.46
BIRC5 O15392 1/20 0.45
PIK3CD O00329 2/20 0.44
PIK3CA P42336 2/20 0.44
TOP2A P11388 1/20 0.43
TOP2B Q02880 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAP4K4 O95819 1/20 0.40
CSNK1G2 P78368 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
MAP4K5 Q9Y4K4 1/20 0.40
PIM1 P11309 2/20 0.40

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
SCHEMBL4047019 0.77 CYP11B1 (0.49) NISCHCA12CYP1A2ALDH1A1
SCHEMBL32667946 0.75 PDGFRB (0.77) NISCHPDGFRBPDGFRACYP2A6BIRC5
SCHEMBL2772360 0.75 PDGFRB (0.77) NISCHPDGFRBPDGFRACYP2A6BIRC5
SCHEMBL4045625 0.72 TOP2A (0.50) NISCHPDGFRBPDGFRACYP2A6BIRC5
SCHEMBL69802 0.72 SCN4A (0.45) ALDH1A1
SCHEMBL714450 0.71 PDGFRB (0.66) NISCHPDGFRBPDGFRACYP2A6BIRC5
SCHEMBL5423443 0.71 NPC1 (0.58) NISCHPDGFRBPDGFRACYP2A6BIRC5
SCHEMBL4049958 0.71 CYP1A2 (0.46) CYP2A6CYP1A2
SCHEMBL4044619 0.71 MKNK1 (0.41) MKNK2
SCHEMBL6600638 0.71 HPGDS (0.63) NISCHPDGFRBPDGFRACYP2A6BIRC5

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765791-B2 Method of treating cancer using a neuropeptide Y 5R (NP Y5R) antagonist UNIVERSITY HEALTH NETWORK (CA) 2014-07-01 US disclosed
CN-102014900-B Method of treating cancer using a neuropeptide Y5R (NPY5R) antagonist UNIV HEALTH NETWORK 2014-04-02 CN disclosed
US-20110112102-A1 METHOD OF TREATING CANCER USING A NEUROPEPTIDE Y 5R (NP Y5R) ANTAGONIST UNIVERSITY HEALTH NETWORK 2011-05-12 US disclosed
CN-102014900-A Method of treating cancer using a neuropeptide Y5R (NPY5R) antagonist UNIV HEALTH NETWORK 2011-04-13 CN disclosed
EP-2262499-A1 METHOD OF TREATING CANCER USING A NEUROPEPTIDE Y 5R (NP Y5R) ANTAGONIST University Health Network (CA) 2010-12-22 EP disclosed
WO-2009111868-A1 METHOD OF TREATING CANCER USING A NEUROPEPTIDE Y 5R (NP Y5R) ANTAGONIST UNIVERSITY HEALTH NETWORK (CA) 2009-09-17 WO disclosed
US-7589096-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-15 US disclosed
EP-1635813-A4 COMBINATION THERAPY FOR THE TREATMENT OF DYSLIPIDEMIA MERCK & CO INC (US) 2009-07-01 EP disclosed
EP-1566384-B1 NOVEL AZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2009-06-17 EP disclosed
CN-100457757-C Novel spiro compounds BANYU PHARMA CO LTD (JP) 2009-02-04 CN disclosed
US-20020188124-A1 Such as cis-N-(4-benzoylphenyl)-4-hydroxy-3'-oxospiro (cyclohexane-1,1' (3'H)-isobenzofuran)-4-carboxamide for use as neuropeptide Y receptor antagonist for treatment bulimia, obesity or diabetes MSD K.K. (JP) 2002-12-12 US disclosed
US-20020165391-A1 Neuropeptide Y receptor antagonists MSD K.K. (JP) 2002-11-07 US disclosed
US-6462053-B1 NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; CARDIOVASCULAR AND CENTRAL NERVOUS SYSTEM DISORDERS AND METABOLIC DISEASES; HYPERTENSION, NEPHROPATHY, HEART DISEASE, VASOSPASM, ARTERIOSCLEROSIS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-10-08 US disclosed
CN-1370168-A Novel spiro compounds BANYU PHARMA CO LTD (JP) 2002-09-18 CN disclosed
EP-1204663-A1 NOVEL SPIRO COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-15 EP disclosed
US-6388077-B1 CARDIOVASCULAR DISORDERS; CENTRAL NERVOUS SYSTEM DISORDERS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-14 US disclosed
US-20020052371-A1 NOVEL SPIRO COMPOUNDS MSD K.K. (JP) 2002-05-02 US disclosed
US-6335345-B1 NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; OBESITY AND BULIMIA TREATMENT; CENTRAL NERVOUS SYSTEM, PSYCHOLOGICAL, METABOLIC AND EATING DISORDERS; ANTIDIABETIC AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-01-01 US disclosed
US-6326375-B1 CONTAINING AN UREA GROUP BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-12-04 US disclosed
WO-2001014376-A1 NOVEL SPIRO COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-03-01 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-20020188124-A1 Such as cis-N-(4-benzoylphenyl)-4-hydroxy-3'-oxospiro (cyclohexane-1,1' (3'H)-isobenzofuran)-4-carboxamide for use as neuropeptide Y receptor antagonist for treatment bulimia, obesity or diabetes NPY1R, GPR119, NPY2R NISCH 442/4885PDGFRB 711/4885PDGFRA 489/4885
US-20020052371-A1 NOVEL SPIRO COMPOUNDS GPR119, NPY1R, OPRK1 NISCH 3537/4885PDGFRB 274/4885PDGFRA 242/4885
US-20110112102-A1 METHOD OF TREATING CANCER USING A NEUROPEPTIDE Y 5R (NP Y5R) ANTAGONIST NPY5R, NPY1R, SSTR5 NISCH 177/4885PDGFRB 958/4885PDGFRA 1038/4885
US-20020165391-A1 Neuropeptide Y receptor antagonists NPY1R, NPY2R, NPY4R NISCH 4059/4885PDGFRB 550/4885PDGFRA 403/4885

“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.