SCHEMBL1040317

SCHEMBL1040317

Fc1ccc(-n2c[c]nc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.34
MGLL Q99685 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
GFER P55789 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HCAR1 Q9BXC0 1/20 0.31
MEN1 O00255 1/20 0.30
PKM P14618 1/20 0.30
KMT2A Q03164 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL7160362 0.79 F2 (0.35) NOTUMMGLLMAOBALDH1A1MAPT
SCHEMBL17626275 0.79 NOTUM (0.47) NOTUMMGLLMAPTLMNARAB9A
SCHEMBL4716988 0.79 ENPP2 (0.47) MGLLALDH1A1MAPTLMNAMAPK1
SCHEMBL1900336 0.75 KDM4E (0.37) NOTUMALDH1A1
SCHEMBL2096016 0.74 CYP11B2 (0.36) NOTUM
SCHEMBL12841347 0.70 CYP1A2 (0.52) NOTUMMGLLALDH1A1MAPTLMNA
SCHEMBL7160454 0.68 ALKBH5 (0.39) NOTUM
SCHEMBL1895992 0.66 NOTUM (0.49) NOTUMALDH1A1MAPTHTTPKM
SCHEMBL1897967 0.66 HCAR1 (0.37) TDP1HCAR1RAB9A
SCHEMBL7162312 0.64 RXRA (0.38) NOTUMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1503998-B1 HETEROARYL SUBSTITUTED SPIROCYCLIC SUFAMIDES FOR INHIBITION OF GAMMA SECRETASE MERCK SHARP & DOHME (GB) 2009-07-01 EP claimed
US-20070088063-A1 Gamma-secretase inhibitors CASTRO PINEIRO JOSE L 2007-04-19 US claimed
US-20050143369-A1 Gamma-secretase inhibitors MERCK SHARP & DOHME LTD. (GB) 2005-06-30 US claimed
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-8242103-B2 Sulphamides for treatment of cancer MERCK SHARP & DOHME LIMITED (GB) 2012-08-14 US disclosed
US-8222418-B2 Piperidines and related compounds for the treatment of dementia Merck Sharp + Dohme Corp. (US) 2012-07-17 US disclosed
EP-2001848-B1 PIPERIDINES AND RELATED COMPOUNDS FOR THE TREATMENT OF DEMENTIA MERCK SHARP & DOHME (GB) 2011-10-26 EP 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-2063710-B1 DIFLUORINATED PIPERIDINES FOR TREATMENT OF ALZHEIMER'S DISEASE AND RELATED CONDITIONS MERCK SHARP & DOHME (US) 2011-01-26 EP 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-2010069069-A1 CATHEPSIN B INHIBITORS MERCK FROSST CANADA LTD. (CA) 2010-06-24 WO 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 (5 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-20020052371-A1 NOVEL SPIRO COMPOUNDS GPR119, NPY1R, OPRK1 NOTUM 3602/4885MGLL 2049/4885MAOA 527/4885
US-20110112102-A1 METHOD OF TREATING CANCER USING A NEUROPEPTIDE Y 5R (NP Y5R) ANTAGONIST NPY5R, NPY1R, SSTR5 NOTUM 2758/4885MGLL 4247/4885MAOA 2160/4885
US-20070088063-A1 Gamma-secretase inhibitors BACE1, BACE2, PSEN1 NOTUM 954/4885MGLL 1895/4885MAOA 1944/4885
US-20050143369-A1 Gamma-secretase inhibitors BACE1, BACE2, PSEN1 NOTUM 954/4885MGLL 1895/4885MAOA 1944/4885
US-20020165391-A1 Neuropeptide Y receptor antagonists NPY1R, NPY2R, NPY4R NOTUM 3993/4885MGLL 1900/4885MAOA 739/4885

“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.