SCHEMBL697728

SCHEMBL697728

CC(=O)NC1CCc2ccccc2C1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
KDM4E B2RXH2 3/20 0.63
MAPT P10636 2/20 0.63
LMNA P02545 1/20 0.63
POLB P06746 1/20 0.63
MTNR1A P48039 3/20 0.53
MTNR1B P49286 3/20 0.53
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CYP19A1 P11511 2/20 0.43

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
SCHEMBL30721496 1.00 NPC1 (0.67) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL7272079 0.82 NPC1 (0.80) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL695898 0.81 SMN1; SMN2 (0.59) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL8870631 0.81 LMNA (0.52) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL10394613 0.80 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL600676 0.79 PDPK1 (0.61) MAPTMTNR1AMTNR1BALDH1A1CA12
SCHEMBL1988494 0.79 PDPK1 (0.61) MAPTMTNR1AMTNR1BALDH1A1CA12
SCHEMBL2466144 0.79 PDPK1 (0.61) MAPTMTNR1AMTNR1BALDH1A1CA12
SCHEMBL8029932 0.79 PDPK1 (0.61) MAPTMTNR1AMTNR1BALDH1A1CA12
SCHEMBL7272139 0.77 LMNA (0.58) RAB9AKDM4EMAPTLMNAPOLB

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114516808-A Preparation method of amino-protected benzocycloketone compound 华东师范大学 2022-05-20 CN disclosed
US-8569294-B2 2-(cyclic amino)-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-29 US disclosed
US-8569294-B2 2-(cyclic amino)-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-29 US disclosed
US-8569294-B2 2-(cyclic amino)-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-29 US disclosed
EP-2423207-A2 2-(cyclic amino)-pyrimidone derivatives as TPK1 inhibitors Mitsubishi Tanabe Pharma Corporation (JP) 2012-02-29 EP disclosed
EP-2423207-A2 2-(cyclic amino)-pyrimidone derivatives as TPK1 inhibitors Mitsubishi Tanabe Pharma Corporation (JP) 2012-02-29 EP disclosed
US-20090233918-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US disclosed
US-20090233918-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US disclosed
US-20090233918-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US disclosed
WO-2007119463-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES AS TPK1 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-10-25 WO disclosed
US-5128362-A Antidepressant, antiglaucoma ABBOTT LABORATORIES (US) 1992-07-07 US disclosed
US-4420480-A PARKINSONISM, DEPRESSION, HYPOTENSIVES MERCK & CO., INC. (US) 1983-12-13 US disclosed
EP-0080115-A2 Hexahydronaphth(1,2-b)-1,4-oxazines, process for their preparation and pharmaceutical formulation containing them MERCK & CO. INC. (US) 1983-06-01 EP disclosed
US-4048330-A Compositions containing 2-(6'-substituted-2'-naphthyl)acetic acid esters used for treating inflammation, pain or pyrexia SYNTEX CORPORATION (US) 1977-09-13 US disclosed
US-4009197-A 2-(6-Substituted-2'-naphthyl) acetic acid derivatives and the salts and esters thereof SYNTEX CORPORATION (PM) 1977-02-22 US 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 (1 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-20090233918-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES MAPT, PRMT1, PSEN1 NPC1 3364/4885RAB9A 2101/4885SMN1; SMN2 819/4885

“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.