SCHEMBL20185674

SCHEMBL20185674

C1CCC(N=C(NCC2CCNCC2)NC2CCCCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.53
EPHX1 P07099 3/20 0.44
ALOX15 P16050 2/20 0.40
TSHR P16473 1/20 0.40
MAPK14 Q16539 2/20 0.36
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 0.36
EPHX2 P34913 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MC4R P32245 1/20 0.34
MC5R P33032 1/20 0.34
MC3R P41968 1/20 0.34
MC1R Q01726 1/20 0.34

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
SCHEMBL20185673 1.00 SIGMAR1 (0.53) SIGMAR1EPHX1ALOX15TSHRMAPK14
SCHEMBL18230710 0.86 SIGMAR1 (0.50) SIGMAR1EPHX1CHRM5CHRM3MC4R
SCHEMBL18230709 0.86 SIGMAR1 (0.50) SIGMAR1EPHX1CHRM5CHRM3MC4R
SCHEMBL7623949 0.82 SIGMAR1 (0.71) SIGMAR1EPHX1CHRM5CHRM3EPHX2
SCHEMBL7623945 0.82 SIGMAR1 (0.71) SIGMAR1EPHX1CHRM5CHRM3EPHX2
SCHEMBL17187436 0.82 SIGMAR1 (0.53) SIGMAR1EPHX1MAPK14KDM4E
SCHEMBL17187438 0.82 SIGMAR1 (0.53) SIGMAR1EPHX1MAPK14KDM4E
Piperazine SCHEMBL28204588 0.81 SIGMAR1 (0.54) SIGMAR1EPHX1CHRM5CHRM3KDM4E
SCHEMBL18740827 0.77 SIGMAR1 (0.68) SIGMAR1EPHX1KDM4E
SCHEMBL17187490 0.76 SIGMAR1 (0.49) SIGMAR1EPHX1MAPK14KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113265053-A Catalyst having polysiloxane structural units for curable compositions SIKA技术股份公司 2021-08-17 CN disclosed
CN-108473815-B Catalyst having polysiloxane structural units for curable compositions SIKA技术股份公司 2021-05-28 CN disclosed
EP-3795649-A2 CATALYST WITH POLYSILOXANE STRUCTURE UNIT FOR CURABLE COMPOSITIONS SIKA TECHNOLOGY AG (CH) 2021-03-24 EP disclosed
EP-3294803-B1 GUANIDINE GROUP CONTAINING CATALYST SIKA TECH AG (CH) 2020-12-09 EP disclosed
US-10836868-B2 Catalyst having a polysiloxane structural unit for hardenable compositions SIKA TECHNOLOGY AG (CH) 2020-11-17 US disclosed
CN-107735438-B Guanidino-containing catalysts SIKA技术股份公司 2020-06-09 CN disclosed
US-10414875-B2 Catalyst containing guanidine groups SIKA TECHNOLOGY AG (CH) 2019-09-17 US disclosed
US-20180327549-A1 CATALYST HAVING A POLYSILOXANE STRUCTURAL UNIT FOR HARDENABLE COMPOSITIONS SIKA TECHNOLOGY AG (CH) 2018-11-15 US disclosed
CN-108473815-A Catalyst having polysiloxane structural units for curable compositions SIKA技术股份公司 2018-08-31 CN disclosed
US-20180148545-A1 CATALYST CONTAINING GUANIDINE GROUPS SIKA TECHNOLOGY AG (CH) 2018-05-31 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-10414875-B2 Catalyst containing guanidine groups GMPS, GMNN, RNMT SIGMAR1 764/4885EPHX1 2367/4885ALOX15 3543/4885
US-20180148545-A1 CATALYST CONTAINING GUANIDINE GROUPS GMPS, RNMT, GMNN SIGMAR1 1068/4885EPHX1 2252/4885ALOX15 3732/4885

“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.