SCHEMBL4255874

SCHEMBL4255874

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 2/20 0.52
MAPT P10636 4/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PDK2 Q15119 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 1/20 0.41
HPGD P15428 2/20 0.40
KCNH2 Q12809 2/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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 SCHEMBL4255870 0.99 LGMN (0.51) LGMNMAPTALDH1A1HTTPOLB
SCHEMBL4415357 0.89 SIGMAR1 (0.38) LGMNKCNH2TMEM97SIGMAR1
SCHEMBL4254972 0.86 TMEM97 (0.39) LGMNMAPTMEN1KMT2ATMEM97
Hydrochloric Acid SCHEMBL4254968 0.86 TMEM97 (0.38) LGMNMAPTMEN1KMT2ATMEM97
SCHEMBL13806082 0.85 HTR4 (0.40) TMEM97SIGMAR1
SCHEMBL13806259 0.85 DRD2 (0.39)
Hydrochloric Acid SCHEMBL4253779 0.84 DRD2 (0.39) MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL4852893 0.84 MEN1 (0.41) MAPTALDH1A1MEN1KMT2ATMEM97
SCHEMBL4253340 0.83 PTGIR (0.38) MAPTMEN1KMT2ATMEM97SIGMAR1
SCHEMBL13806194 0.83 TMEM97 (0.36) MAPTMEN1KMT2ATMEM97SIGMAR1

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 7 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-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
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 LGMN 4865/4885MAPT 4564/4885ALDH1A1 305/4885
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives CCR10, H1-10, CXCL10 LGMN 4873/4885MAPT 4459/4885ALDH1A1 309/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 LGMN 4885/4885MAPT 2706/4885ALDH1A1 617/4885

“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.