SCHEMBL1898066

SCHEMBL1898066

COc1cc(F)cc(-c2cn[c]nc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 3/20 0.44
▸ CYP1B1 Q16678 3/20 0.44
▸ KDM1A O60341 1/20 0.42
▸ PGR P06401 2/20 0.38
▸ LRRK2 Q5S007 3/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2E1 P05181 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C8 P10632 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP4B1 P13584 1/20 0.37
▸ CYP2B6 P20813 1/20 0.37
▸ CYP3A5 P20815 1/20 0.37
▸ CYP2A7 P20853 1/20 0.37
▸ CYP3A7 P24462 1/20 0.37
▸ CYP2F1 P24903 1/20 0.37
▸ CYP2C18 P33260 1/20 0.37
▸ CYP2C19 P33261 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
SCHEMBL30018135 0.80 CYP1A1 (0.55) CYP1A1CYP1B1KDM1APGRLRRK2
SCHEMBL27859257 0.80 CYP1A1 (0.55) CYP1A1CYP1B1KDM1APGRLRRK2
SCHEMBL24785335 0.73 KDM1A (0.41) CYP1A1CYP1B1KDM1APGRLRRK2
SCHEMBL30103004 0.73 KDM1A (0.41) CYP1A1CYP1B1KDM1APGRLRRK2
SCHEMBL24785334 0.73 KDM1A (0.41) CYP1A1CYP1B1KDM1APGRLRRK2
SCHEMBL27852526 0.73 ABL1 (0.44) CYP1A1CYP1B1KDM1APGRCYP1A2
SCHEMBL1436252 0.73 DYRK1A (0.53) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL6606854 0.72 CYP1A1 (0.55) CYP1A1CYP1B1KDM1APGRCYP1A2
SCHEMBL10165325 0.71 KDM1A (0.45) CYP1A1CYP1B1KDM1APGRABL1
SCHEMBL30338748 0.71 CYP11B2 (0.56) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4

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 41 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
US-20110112102-A1 METHOD OF TREATING CANCER USING A NEUROPEPTIDE Y 5R (NP Y5R) ANTAGONIST UNIVERSITY HEALTH NETWORK 2011-05-12 — — US 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
EP-1635813-A4 COMBINATION THERAPY FOR THE TREATMENT OF DYSLIPIDEMIA MERCK & CO INC (US) 2009-07-01 — — EP disclosed
US-20080064632-A1 Combination Therapy for the Treatment of Obesity MERCK SHARP & DOHME CORP. 2008-03-13 — — US disclosed
EP-1483266-B1 SPIRO COMPOUNDS WITH NPY ANTAGONISTIC ACTIVITY BANYU PHARMA CO LTD (JP) 2008-02-27 — — EP disclosed
EP-1534074-A4 COMBINATION THERAPY FOR THE TREATMENT OF OBESITY MERCK & CO INC (US) 2008-01-09 — — EP disclosed
US-7304072-B2 E.g.,cis-N-(4-benzoylphenyl)-4-hydroxy-3'-oxospiro[cyclohexane-1,1'(3'H)-isobenzofuran]-4-carboxamide; useful as neuropeptide Y receptor antagonists and as agents for therapy of cardiovascular disorders, central nervous system disorders, metabolic diseases, respiratory and urogenital disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-12-04 — — US disclosed
EP-1799241-A2 COMBINATION THERAPY FOR THE TREATMENT OF OBESITY Merck & Co., Inc. (US) 2007-06-27 — — EP disclosed
US-20030055251-A1 Novel spiro compounds MSD K.K. (JP) 2003-03-20 — — US 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
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 (6 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 CYP1A1 1583/4885CYP1B1 1460/4885KDM1A 2449/4885
US-20080064632-A1 Combination Therapy for the Treatment of Obesity NPY4R, GPR119, GIPR CYP1A1 2704/4885CYP1B1 2430/4885KDM1A 1901/4885
US-20020052371-A1 NOVEL SPIRO COMPOUNDS GPR119, NPY1R, OPRK1 CYP1A1 599/4885CYP1B1 438/4885KDM1A 2926/4885
US-20030055251-A1 Novel spiro compounds NPY1R, GPR119, OPRK1 CYP1A1 532/4885CYP1B1 387/4885KDM1A 2625/4885
US-20110112102-A1 METHOD OF TREATING CANCER USING A NEUROPEPTIDE Y 5R (NP Y5R) ANTAGONIST NPY5R, NPY1R, SSTR5 CYP1A1 4412/4885CYP1B1 3793/4885KDM1A 1329/4885
US-20020165391-A1 Neuropeptide Y receptor antagonists NPY1R, NPY2R, NPY4R CYP1A1 945/4885CYP1B1 798/4885KDM1A 2215/4885

“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.

Send feedback