SCHEMBL8737231

SCHEMBL8737231

Cc1cnc(C)c2c1OCC2

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.36
HTR2A P28223 4/20 0.36
DRD3 P35462 4/20 0.36
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
DRD1 P21728 2/20 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
SCHEMBL15339517 0.90 ACHE (0.33) DRD2HTR2ADRD3
SCHEMBL9606676 0.84 MAOA (0.32) DRD2HTR2ADRD3MAOAMAOB
SCHEMBL25898842 0.81 NOS3 (0.35) DRD2HTR2ADRD3MAOAMAOB
SCHEMBL6127822 0.79 HTR2A (0.31) HTR2A
SCHEMBL6127803 0.78 HTR2A (0.34) DRD2HTR2ADRD3
SCHEMBL6127865 0.72 HTR2A (0.31) HTR2A
SCHEMBL6127810 0.71 HTR2A (0.30) HTR2A
SCHEMBL6127807 0.70 HTR2A (0.32) HTR2AALDH1A1CYP1A2
SCHEMBL6127893 0.70 MAOA (0.47) HTR2AMAOAMAOBALDH1A1CYP1A2
SCHEMBL14747247 0.68 CHRNB2 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180208579-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2018-07-26 US disclosed
US-20180193341-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2018-07-12 US disclosed
US-9925188-B2 DNA-PK inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-03-27 US disclosed
US-9878993-B2 DNA-PK inhibitors for treatment of cancer VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-01-30 US disclosed
US-20170258789-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-09-14 US disclosed
US-9592232-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-03-14 US disclosed
US-20160368899-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-22 US disclosed
US-20160250212-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-09-01 US disclosed
US-9376448-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-28 US disclosed
US-9296701-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-03-29 US disclosed
US-8450343-B2 Gamma secretase modulators SCHERING CORPORATION 2013-05-28 US disclosed
US-8426595-B2 Gamma secretase modulators MERCK SHARP & DOHME LLC 2013-04-23 US disclosed
US-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 US disclosed
US-20110306593-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-15 US disclosed
US-20110294784-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-01 US disclosed
US-20110263529-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2011-10-27 US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 US disclosed
US-20100298359-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2010-11-25 US disclosed
US-20100297128-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2010-11-25 US disclosed
US-20100298372-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-11-25 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 (13 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-20100298359-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 DRD2 4431/4885HTR2A 2583/4885DRD3 4401/4885
US-20160368899-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK DRD2 4882/4885HTR2A 4112/4885DRD3 4864/4885
US-20160250212-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK DRD2 4882/4885HTR2A 4112/4885DRD3 4864/4885
US-20110294784-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP DRD2 4498/4885HTR2A 2426/4885DRD3 4300/4885
US-20100297128-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 DRD2 4440/4885HTR2A 2384/4885DRD3 4162/4885
US-20170258789-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK DRD2 4882/4885HTR2A 4112/4885DRD3 4864/4885
US-20180193341-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK DRD2 4882/4885HTR2A 4112/4885DRD3 4864/4885
US-20120129846-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 DRD2 4735/4885HTR2A 2317/4885DRD3 4544/4885
US-20100298372-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 DRD2 4669/4885HTR2A 2698/4885DRD3 4585/4885
US-20110306593-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 DRD2 4743/4885HTR2A 1973/4885DRD3 4548/4885
US-20180208579-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK DRD2 4882/4885HTR2A 4112/4885DRD3 4864/4885
US-20110263529-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 DRD2 4702/4885HTR2A 2307/4885DRD3 4499/4885
US-20110015190-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 DRD2 4431/4885HTR2A 2583/4885DRD3 4401/4885

“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.