SCHEMBL1896544

SCHEMBL1896544

CC(=O)c1cc[c]cc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.36
CES2 O00748 2/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
PDK2 Q15119 2/20 0.31
PDK1 Q15118 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
NOTUM Q6P988 1/20 0.30
TMPRSS4 Q9NRS4 1/20 0.30

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
SCHEMBL2876923 0.83 LMNA (0.32) LMNAGAA
SCHEMBL18554639 0.83 ALDH1A1 (0.41) CES2LMNAGAA
SCHEMBL17977304 0.81 CES2 (0.34) CES2LMNAGAAMAOBPDK2
SCHEMBL21268411 0.81 CFTR (0.44) CES2LMNAPDK2PDK4NOTUM
SCHEMBL9499094 0.79 CES2 (0.40) CES2LMNAGAA
SCHEMBL2092525 0.76 ALDH1A1 (0.35) CES2LMNAGAA
SCHEMBL1206852 0.75 KMT2A (0.38) CES2LMNAGAAMAOAMAOB
SCHEMBL8163828 0.74 CES2 (0.31) CES2
SCHEMBL1510099 0.73 FFAR1 (0.32) LMNA
SCHEMBL6340582 0.72 SMN1; SMN2 (0.35) LMNA

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 KIF11 4728/4885CES2 1414/4885LMNA 3598/4885
US-20080064632-A1 Combination Therapy for the Treatment of Obesity NPY4R, GPR119, GIPR KIF11 3664/4885CES2 2773/4885LMNA 2664/4885
US-20020052371-A1 NOVEL SPIRO COMPOUNDS GPR119, NPY1R, OPRK1 KIF11 4047/4885CES2 2659/4885LMNA 2213/4885
US-20030055251-A1 Novel spiro compounds NPY1R, GPR119, OPRK1 KIF11 4159/4885CES2 2852/4885LMNA 1813/4885
US-20110112102-A1 METHOD OF TREATING CANCER USING A NEUROPEPTIDE Y 5R (NP Y5R) ANTAGONIST NPY5R, NPY1R, SSTR5 KIF11 883/4885CES2 4654/4885LMNA 4692/4885
US-20020165391-A1 Neuropeptide Y receptor antagonists NPY1R, NPY2R, NPY4R KIF11 4632/4885CES2 3731/4885LMNA 3238/4885

“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.