SCHEMBL4254972

SCHEMBL4254972

CCCCN1CCN(c2ccc(N3CCC(OCC(=O)OCC)CC3)cc2C2CCC(C(C)(C)C)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 9/20 0.39
SIGMAR1 Q99720 8/20 0.39
LGMN Q99538 1/20 0.36
MEN1 O00255 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
LIPC P11150 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 1/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
HRH3 Q9Y5N1 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
Hydrochloric Acid SCHEMBL4254968 0.99 TMEM97 (0.38) TMEM97SIGMAR1LGMNMEN1CYP2D6
SCHEMBL4253340 0.91 PTGIR (0.38) TMEM97SIGMAR1MEN1CYP2D6MAPT
SCHEMBL13806194 0.90 TMEM97 (0.36) TMEM97SIGMAR1MEN1CYP2D6MAPT
Hydrochloric Acid SCHEMBL4261179 0.89 MEN1 (0.38) TMEM97SIGMAR1MEN1CYP2D6MAPT
Hydrochloric Acid SCHEMBL4852893 0.88 MEN1 (0.41) TMEM97MEN1CYP2D6MAPTKMT2A
SCHEMBL13816596 0.88 TMEM97 (0.38) TMEM97SIGMAR1LGMNDRD4HRH1
SCHEMBL4255874 0.86 LGMN (0.52) TMEM97SIGMAR1LGMNMEN1MAPT
Hydrochloric Acid SCHEMBL4255870 0.86 LGMN (0.51) TMEM97SIGMAR1LGMNMEN1MAPT
SCHEMBL13806248 0.84 DRD2 (0.37) TMEM97SIGMAR1MEN1CYP2D6MAPT
Hydrochloric Acid SCHEMBL4851096 0.83 DRD2 (0.39) TMEM97MEN1CYP2D6MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 US disclosed
US-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 US disclosed
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives EISAI R&D MANAGEMENT CO., LTD. 2006-12-14 US disclosed
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-12-07 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 (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-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE CCR10, H1-10, VCAM1 TMEM97 2255/4885SIGMAR1 934/4885LGMN 4865/4885
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives CCR10, H1-10, CXCL10 TMEM97 2128/4885SIGMAR1 706/4885LGMN 4873/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 TMEM97 3031/4885SIGMAR1 2556/4885LGMN 4885/4885

“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.