SCHEMBL350427

SCHEMBL350427

COc1ccc2c(c1)CC[CH]C2

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 8/20 0.51
DRD2 P14416 8/20 0.51
DRD3 P35462 8/20 0.51
DRD5 P21918 7/20 0.51
CHRNA7 P36544 1/20 0.49
MPO P05164 1/20 0.47
DRD4 P21917 4/20 0.46
BCL2 P10415 1/20 0.46
METAP1 P53582 2/20 0.42
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL1788655 0.84 DRD2 (0.48) DRD1DRD2DRD3DRD5CHRNA7
SCHEMBL2607471 0.79 DRD1 (0.62) DRD1DRD2DRD3DRD5CHRNA7
SCHEMBL31028084 0.75 DRD1 (0.62) DRD1DRD2DRD3DRD5CHRNA7
SCHEMBL31678927 0.75 DRD2 (0.48) DRD1DRD2DRD3DRD5CHRNA7
SCHEMBL30299229 0.75 DRD1 (0.62) DRD1DRD2DRD3DRD5CHRNA7
SCHEMBL1506557 0.75 DRD1 (0.62) DRD1DRD2DRD3DRD5CHRNA7
SCHEMBL577378 0.75 DRD1 (0.62) DRD1DRD2DRD3DRD5CHRNA7
SCHEMBL9113258 0.75 DRD2 (0.48) DRD1DRD2DRD3DRD5CHRNA7
SCHEMBL4133301 0.74 DRD1 (0.60) DRD1DRD2DRD3DRD5CHRNA7
SCHEMBL5855341 0.74 MAPT (0.50) DRD1DRD5CHRNA7DRD4MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414346-B1 AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2015-06-24 EP claimed
US-8497283-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2013-07-30 US claimed
US-20130023556-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-01-24 US claimed
EP-2057115-B9 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2012-12-26 EP claimed
US-8329907-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2012-12-11 US claimed
EP-2057115-B1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2012-10-03 EP claimed
EP-2414346-A1 AUTOTAXIN INHIBITORS Merck Patent GmbH (DE) 2012-02-08 EP claimed
US-20120015976-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) 2012-01-19 US claimed
WO-2010112124-A1 AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2010-10-07 WO claimed
US-7803819-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-09-28 US claimed
US-20100173955-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2010-07-08 US claimed
EP-2057115-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES Array Biopharma, Inc. (US) 2009-05-13 EP claimed
WO-2008024746-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA, INC. (US) 2008-02-28 WO claimed
US-20070259925-A1 DPP IV INHIBITORS BOEHRINGER MARKUS 2007-11-08 US claimed
US-20050096348-A1 DPP IV inhibitors BOEHRINGER MARKUS (CH) 2005-05-05 US claimed
EP-1441719-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 EP claimed
US-20030130281-A1 DPP IV inhibitors HOFFMAN-LA ROCHE INC. 2003-07-10 US claimed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 WO claimed
EP-2414346-B1 AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2015-06-24 EP disclosed
EP-0107156-A1 Cyclohexane-1,3-dione derivatives, process for their preparation and their use in the control of undesirable plant growth BASF Aktiengesellschaft (DE) 1984-05-02 EP 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-20120015976-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 DRD1 4850/4885DRD2 4788/4885DRD3 4729/4885
US-20100173955-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES CD22, HRH2, CD74 DRD1 478/4885DRD2 185/4885DRD3 405/4885
US-20130023556-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 DRD1 4850/4885DRD2 4788/4885DRD3 4729/4885
US-20070259925-A1 DPP IV INHIBITORS DPP4, DPP3, DPP7 DRD1 786/4885DRD2 977/4885DRD3 688/4885
US-20030130281-A1 DPP IV inhibitors DPP4, DPP3, DPP7 DRD1 385/4885DRD2 782/4885DRD3 443/4885
US-20050096348-A1 DPP IV inhibitors DPP4, DPP3, DPP7 DRD1 786/4885DRD2 977/4885DRD3 688/4885

“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.