SCHEMBL9364495

SCHEMBL9364495

CN1CCN(C(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.77
POLB P06746 4/20 0.69
KMT2A Q03164 3/20 0.68
MEN1 O00255 2/20 0.68
HPGD P15428 2/20 0.65
ALOX15 P16050 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.62
HTT P42858 1/20 0.62
CYP2D6 P10635 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C19 P33261 1/20 0.61
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA7 P43166 1/20 0.61
CA9 Q16790 1/20 0.61
CA14 Q9ULX7 1/20 0.61
GRM5 P41594 1/20 0.59
HSD11B1 P28845 1/20 0.58
NPC1 O15118 1/20 0.58

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
SCHEMBL12128812 0.91 EPHX2 (0.79) EPHX2POLBKMT2AMEN1HPGD
SCHEMBL10724841 0.90 POLB (0.81) EPHX2POLBKMT2AMEN1HPGD
SCHEMBL6985975 0.90 CA12 (0.71) EPHX2POLBKMT2AMEN1HPGD
SCHEMBL22305103 0.90 CA12 (0.71) EPHX2POLBKMT2AMEN1HPGD
SCHEMBL3944127 0.88 EPHX2 (1.00) EPHX2POLBKMT2AMEN1HTT
SCHEMBL7848596 0.85 POLB (0.62) EPHX2POLBKMT2AMEN1SMN1; SMN2
SCHEMBL20449050 0.85 POLB (0.86) EPHX2POLBKMT2AMEN1HPGD
SCHEMBL82433 0.83 ALDH1A1 (0.72) POLBKMT2AMEN1HPGDALOX15
SCHEMBL2473996 0.83 POLB (0.71) EPHX2POLBKMT2AMEN1HPGD
SCHEMBL3047748 0.83 CA12 (0.63) EPHX2POLBKMT2AMEN1SMN1; 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 US disclosed
US-7585858-B2 N-sulfonylcarboximidamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-09-08 US disclosed
US-7528140-B2 Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors TEIJIN LIMITED (JP) 2009-05-05 US disclosed
US-7528140-B2 Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors TEIJIN LIMITED (JP) 2009-05-05 US disclosed
US-7449485-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES INC. (US) 2008-11-11 US disclosed
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2008-09-18 US disclosed
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2008-09-18 US disclosed
US-20080146572-A1 N-SULFONYLUREA APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2008-06-19 US disclosed
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 US disclosed
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 US disclosed
US-7358251-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES (US) 2008-04-15 US disclosed
EP-0290377-B1 Substituted 4-[1H-Imidazol-1-yl] benzamides as antiarrhythmic agents SCHERING AG (DE) 1994-03-02 EP disclosed
US-4804662-A Substituted 4-(1H-imidazol-1-yl)benzamides as antiarrhythmic agents SCHERING A.G. (DE) 1989-02-14 US disclosed
EP-0290377-A1 Substituted 4-[1H-Imidazol-1-yl] benzamides as antiarrhythmic agents SCHERING AKTIENGESELLSCHAFT (DE) 1988-11-09 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-20080146572-A1 N-SULFONYLUREA APOPTOSIS PROMOTERS BAX, BCL2, BAD EPHX2 3575/4885POLB 438/4885KMT2A 3213/4885
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BAD EPHX2 3231/4885POLB 151/4885KMT2A 1794/4885
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE KCNT1, KCNMA1, KCNJ2 EPHX2 2829/4885POLB 3986/4885KMT2A 274/4885

“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.