SCHEMBL739715

SCHEMBL739715

C[C@@]1(N)CN(CCc2ccccc2)C(=O)C12CC2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.44
OPRM1 P35372 9/20 0.44
KCNH2 Q12809 6/20 0.43
GAA P10253 2/20 0.41
ACHE P22303 1/20 0.41
BDKRB2 P30411 1/20 0.39
CCR3 P51677 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BACE1 P56817 1/20 0.39

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
SCHEMBL738682 0.85 GAA (0.50) OPRM1GAAALDH1A1MEN1USP2
SCHEMBL740952 0.81 BDKRB2 (0.43) SIGMAR1OPRM1KCNH2ACHEBDKRB2
SCHEMBL740806 0.74 POLB (0.39) SIGMAR1OPRM1KCNH2BDKRB2SMN1; SMN2
SCHEMBL4772739 0.71 SIGMAR1 (0.41) SIGMAR1OPRM1BDKRB2SMN1; SMN2MAPT
SCHEMBL4772742 0.71 SIGMAR1 (0.41) SIGMAR1OPRM1BDKRB2SMN1; SMN2MAPT
SCHEMBL3979671 0.71 OPRM1 (0.40) SIGMAR1OPRM1ALDH1A1L3MBTL1
SCHEMBL4665250 0.69 SLC6A3 (0.46) SIGMAR1OPRM1KCNH2ACHESMN1; SMN2
SCHEMBL1116555 0.68 SIGMAR1 (0.44) SIGMAR1OPRM1KCNH2GAAACHE
SCHEMBL3189921 0.67 MEN1 (0.46) SIGMAR1OPRM1KCNH2GAAACHE
SCHEMBL3179885 0.67 ALDH1A1 (0.43) SIGMAR1OPRM1KCNH2GAAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1930321-A1 PROCESS FOR PREPARATION OF TETRASUBSTITUTED 5-AZASPIRO[2.4]- HEPTANE DERIVATIVES AND OPTICALLY ACTIVE INTERMEDIATES THEREOF Daiichi Sankyo Company, Limited (JP) 2008-06-11 EP claimed
EP-2000467-B1 HYDRATE FOR MEDICAL PURPOSES DAIICHI SANKYO CO LTD (JP) 2014-10-01 EP disclosed
EP-1882689-B1 TRI- OR TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-07-10 EP disclosed
US-8476429-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-8378119-B2 Method for producing asymmetric tetrasubstituted carbon atom-containing compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-02-19 US disclosed
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-09-13 US disclosed
EP-1970669-B1 Self-calibration of scale factor for dual resonator class II coriolis vibratory gyros LITTON SYSTEMS INC (US) 2012-08-01 EP disclosed
US-20120172605-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-07-05 US disclosed
US-8211910-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-07-03 US disclosed
EP-2463274-A1 Tri-or tetra-substituted-3-aminopyrrolidine deritatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-13 EP disclosed
US-20090054648-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-02-26 US disclosed
EP-2000467-A2 HYDRATE FOR MEDICAL PURPOSES Daiichi Sankyo Company, Limited (JP) 2008-12-10 EP disclosed
US-20080223107-A1 Self-calibration of scale factor for dual resonator class II coriolis vibratory gyros LITTON SYSTEMS INC. 2008-09-18 US disclosed
EP-1970669-A2 Self-calibration of scale factor for dual resonator class II coriolis vibratory gyros LITTON SYSTEMS, INC. (US) 2008-09-17 EP disclosed
EP-1930321-A1 PROCESS FOR PREPARATION OF TETRASUBSTITUTED 5-AZASPIRO[2.4]- HEPTANE DERIVATIVES AND OPTICALLY ACTIVE INTERMEDIATES THEREOF Daiichi Sankyo Company, Limited (JP) 2008-06-11 EP disclosed
WO-2008054404-A2 RESONANT VIBRATORY DEVICE HAVING HIGH QUALITY FACTOR AND METHODS OF FABRICATING SAME CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-05-08 WO disclosed
EP-1882685-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-01-30 EP disclosed
EP-1882689-A1 TRI- OR TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2008-01-30 EP disclosed
US-20070119258-A1 Resonant vibratory device having high quality factor and methods of fabricating same CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-05-31 US disclosed
US-20060264428-A1 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-23 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 (4 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-20120172605-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DHPS, COASY, NQO2 SIGMAR1 3402/4885OPRM1 3694/4885KCNH2 1767/4885
US-20060264428-A1 Tri-, tetra-substituted-3-aminopyrrolidine derivative QTRT1, RRS1, LAS1L SIGMAR1 113/4885OPRM1 606/4885KCNH2 1399/4885
US-20090054648-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND ACSL3, ARL1, NQO2 SIGMAR1 1394/4885OPRM1 2105/4885KCNH2 670/4885
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE TLR5, TEAD4, NAALAD2 SIGMAR1 1238/4885OPRM1 821/4885KCNH2 2584/4885

“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.