SCHEMBL15465680

SCHEMBL15465680

O[C@H]1CCCC[C@@H]1c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.58
CYP2A6 P11509 4/20 0.53
CHRNB2 P17787 6/20 0.51
CHRNA4 P43681 6/20 0.51
CHRNA7 P36544 5/20 0.51
MEN1 O00255 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C19 P33261 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
ALDH1A1 P00352 2/20 0.45
CHRNB4 P30926 2/20 0.45
CHRNA3 P32297 2/20 0.45
CHRNA2 Q15822 2/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTR3E A5X5Y0 1/20 0.45

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
SCHEMBL15465678 1.00 CYP11B2 (0.58) CYP11B2CYP2A6CHRNB2CHRNA4CHRNA7
SCHEMBL28934728 0.81 CYP2A6 (0.66) CYP11B2CYP2A6CHRNB2CHRNA4CHRNA7
SCHEMBL17721312 0.79 CYP11B2 (0.58) CYP11B2CYP2A6CHRNB2CHRNA4CHRNA7
SCHEMBL6177326 0.78 CYP11B2 (0.53) CYP11B2CYP2A6CHRNB2CHRNA4CHRNA7
SCHEMBL6177325 0.78 CYP11B2 (0.53) CYP11B2CYP2A6CHRNB2CHRNA4CHRNA7
SCHEMBL6043929 0.77 KDM1A (0.52) CYP11B2CYP2A6CHRNB2CHRNA4CHRNA7
SCHEMBL9414138 0.77 CYP2A6 (0.65) CYP11B2CYP2A6CHRNB2CHRNA4CHRNA7
SCHEMBL3869911 0.77 SLC18A3 (0.59) MEN1CYP2D6KMT2ASMN1; SMN2CYP1A2
SCHEMBL5163055 0.77 SLC18A3 (0.59) MEN1CYP2D6KMT2ASMN1; SMN2CYP1A2
SCHEMBL407263 0.77 SLC18A3 (0.59) MEN1CYP2D6KMT2ASMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3144300-B1 METHODS OF PRODUCING 4-CYCLOALKYLOXYBENZENESULFONAMIDES DAIICHI SANKYO CO LTD (JP) 2017-12-20 EP disclosed
US-9845313-B2 Cycloalkane derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-12-19 US disclosed
EP-3144300-A1 METHODS OF PRODUCING 4-CYCLOALKYLOXYBENZENESULFONAMIDES Daiichi Sankyo Company, Limited (JP) 2017-03-22 EP disclosed
US-20170001984-A1 CYCLOALKANE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-01-05 US disclosed
US-9493448-B2 Cycloalkane derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-11-15 US disclosed
EP-2813491-B1 CYCLOALKANE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2016-11-02 EP disclosed
EP-2813491-A1 CYCLOALKANE DERIVATIVE Daiichi Sankyo Co., Ltd. (JP) 2014-12-17 EP disclosed
US-8889741-B2 Cycloalkane derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-11-18 US disclosed
US-20140045862-A1 Cycloalkane Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-02-13 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 (2 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-20170001984-A1 CYCLOALKANE DERIVATIVES TRPV1, TRPA1, SCNN1A CYP11B2 613/4885CYP2A6 1349/4885CHRNB2 314/4885
US-20140045862-A1 Cycloalkane Derivatives TRPV1, TRPA1, SCNN1A CYP11B2 613/4885CYP2A6 1349/4885CHRNB2 314/4885

“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.