SCHEMBL738792

SCHEMBL738792

CCOC(=O)C1(C(C)(N)C#N)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
TSHR P16473 1/20 0.37
OPRM1 P35372 6/20 0.34
KCNA3 P22001 1/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
ATM Q13315 1/20 0.33
ALOX15 P16050 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
OPRD1 P41143 3/20 0.31
OPRK1 P41145 3/20 0.31
SLC22A1 O15245 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
KCNH2 Q12809 1/20 0.31
GAA P10253 1/20 0.30
RECQL P46063 1/20 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
SCHEMBL16075830 0.76 ALDH1A1 (0.39) ALDH1A1OPRM1MEN1KMT2AATM
SCHEMBL762290 0.74
SCHEMBL19601333 0.74 ALDH1A1 (0.37) ALDH1A1OPRM1MEN1KMT2AATM
SCHEMBL3978891 0.74 FFAR3 (0.31)
SCHEMBL740872 0.72 CTSL (0.35) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL9313190 0.71 DGAT1 (0.41) ALDH1A1OPRM1ATMALOX15MAPT
SCHEMBL17682117 0.69 MAPT (0.37) ALDH1A1OPRM1ATMMAPTPOLB
SCHEMBL11372937 0.68 SMN1; SMN2 (0.37) ALDH1A1TSHROPRM1MEN1KMT2A
SCHEMBL4153304 0.68 POLB (0.33) ALDH1A1OPRM1MEN1KMT2AATM
SCHEMBL4671893 0.68 GAA (0.38) ALDH1A1OPRM1KDM4EPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378119-B2 Method for producing asymmetric tetrasubstituted carbon atom-containing compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-02-19 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-8138352-B2 Method for producing asymmetric tetrasubstituted carbon atom-containing compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-20 US disclosed
US-8136382-B2 Self-calibration of scale factor for dual resonator class II Coriolis vibratory gyros NORTHROP GRUMMAN GUIDANCE AND ELECTRONICS COMPANY, INC. (US) 2012-03-20 US disclosed
US-20110144339-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-06-16 US disclosed
US-7928232-B2 Method for producing asymmetric tetrasubstituted carbon atom-containing compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-19 US disclosed
US-20100218587-A1 Self-calibration of scale factor for dual resonator class II coriolis vibratory gyros STEWART ROBERT E 2010-09-02 US disclosed
US-7739896-B2 Self-calibration of scale factor for dual resonator class II coriolis vibratory gyros NORTHROP GRUMMAN GUIDANCE AND ELECTRONICS COMPANY, INC. (US) 2010-06-22 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-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-1882685-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-01-30 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 (3 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 ALDH1A1 1679/4885TSHR 3042/4885OPRM1 3694/4885
US-20110144339-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND ACSL3, NQO2, COASY ALDH1A1 1202/4885TSHR 3648/4885OPRM1 3183/4885
US-20090054648-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND ACSL3, ARL1, NQO2 ALDH1A1 614/4885TSHR 2836/4885OPRM1 2105/4885

“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.