SCHEMBL4253340

SCHEMBL4253340

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 5/20 0.38
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TMEM97 Q5BJF2 6/20 0.37
SIGMAR1 Q99720 5/20 0.37
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
LIPC P11150 1/20 0.35
LIPG Q9Y5X9 1/20 0.35

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
SCHEMBL13806194 0.91 TMEM97 (0.36) MEN1CYP2D6MAPTKMT2ATMEM97
SCHEMBL4254972 0.91 TMEM97 (0.39) MEN1CYP2D6MAPTKMT2ATMEM97
Hydrochloric Acid SCHEMBL4261179 0.90 MEN1 (0.38) MEN1CYP2D6MAPTKMT2ATMEM97
Hydrochloric Acid SCHEMBL4254968 0.90 TMEM97 (0.38) MEN1CYP2D6MAPTKMT2ATMEM97
Hydrochloric Acid SCHEMBL4852893 0.88 MEN1 (0.41) MEN1CYP2D6MAPTKMT2ATMEM97
SCHEMBL4415357 0.87 SIGMAR1 (0.38) TMEM97SIGMAR1DRD2DRD4
SCHEMBL13806248 0.86 DRD2 (0.37) MEN1CYP2D6MAPTKMT2ATMEM97
Hydrochloric Acid SCHEMBL4851096 0.86 DRD2 (0.39) MEN1CYP2D6MAPTKMT2ATMEM97
Hydrochloric Acid SCHEMBL4257217 0.85 MEN1 (0.36) MEN1CYP2D6MAPTKMT2ATMEM97
SCHEMBL13806082 0.84 HTR4 (0.40) TMEM97SIGMAR1

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
EP-1892238-A1 1, 2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2008-02-27 EP 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 PTGIR 723/4885MEN1 2838/4885CYP2D6 2907/4885
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives CCR10, H1-10, CXCL10 PTGIR 791/4885MEN1 2708/4885CYP2D6 2321/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 PTGIR 829/4885MEN1 2159/4885CYP2D6 2174/4885

“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.