SCHEMBL83250

SCHEMBL83250

CC1(N)CN(Cc2ccccc2)CC12CC2

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TSHR P16473 2/20 0.50
CYP2D6 P10635 3/20 0.46
SIGMAR1 Q99720 1/20 0.46
CYP3A4 P08684 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MC4R P32245 1/20 0.43
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRL1 P41146 1/20 0.41
USP2 O75604 1/20 0.41
ACHE P22303 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL762295 1.00 GAA (0.58) GAAMEN1KMT2ATSHRCYP2D6
SCHEMBL762150 1.00 GAA (0.58) GAAMEN1KMT2ATSHRCYP2D6
SCHEMBL4665250 0.84 SLC6A3 (0.46) SIGMAR1OPRM1ACHE
SCHEMBL14159659 0.83 GAA (0.57) GAAMEN1KMT2ATSHRCYP2D6
SCHEMBL867675 0.80 GAA (0.62) GAAMEN1KMT2ATSHRCYP2D6
SCHEMBL10306158 0.76 GAA (0.50) GAAMEN1KMT2ATSHRCYP2D6
SCHEMBL10990414 0.76 GAA (0.67) GAAMEN1KMT2ATSHRCYP2D6
SCHEMBL13201397 0.75 CYP3A4 (0.53) GAAMEN1KMT2ATSHRCYP2D6
SCHEMBL950871 0.75 CYP3A4 (0.53) GAAMEN1KMT2ATSHRCYP2D6
SCHEMBL17163357 0.75 CYP3A4 (0.53) GAAMEN1KMT2ATSHRCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8378119-B2 Method for producing asymmetric tetrasubstituted carbon atom-containing compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-02-19 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
US-20120172605-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-07-05 US disclosed
US-20120172605-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-07-05 US disclosed
US-20120172605-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-07-05 US disclosed
EP-2000467-A9 HYDRATE FOR MEDICAL PURPOSES Daiichi Sankyo Company, Limited (JP) 2009-03-18 EP disclosed
US-20090054648-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-02-26 US disclosed
US-20090054648-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-02-26 US 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-20080300403-A1 Method for Production of Quinolone-Containing Lyophilized Preparation DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-12-04 US disclosed
EP-1930006-A1 METHOD FOR PRODUCTION OF QUINOLONE-CONTAINING LYOPHILIZED PREPARATION Daiichi Sankyo Company, Limited (JP) 2008-06-11 EP disclosed
EP-1882689-A1 TRI- OR TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2008-01-30 EP disclosed
EP-1882685-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-01-30 EP 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 (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-20120172605-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DHPS, COASY, NQO2 GAA 2069/4885MEN1 2886/4885KMT2A 2610/4885
US-20080300403-A1 Method for Production of Quinolone-Containing Lyophilized Preparation NQO2, TREH, CYP51A1 GAA 438/4885MEN1 1306/4885KMT2A 3603/4885
US-20060264428-A1 Tri-, tetra-substituted-3-aminopyrrolidine derivative QTRT1, RRS1, LAS1L GAA 3745/4885MEN1 3221/4885KMT2A 2638/4885
US-20090054648-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND ACSL3, ARL1, NQO2 GAA 1980/4885MEN1 3492/4885KMT2A 2807/4885
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE TLR5, TEAD4, NAALAD2 GAA 1156/4885MEN1 4329/4885KMT2A 3178/4885

“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.