SCHEMBL4252945

SCHEMBL4252945

COCCC(=O)c1ccc(N2CCNCC2)c(C2CC(C)(C)CC(C)(C)C2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.36
ALDH1A1 P00352 5/20 0.35
HPGD P15428 3/20 0.35
RAB9A P51151 3/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MITF O75030 1/20 0.35
CYP2D6 P10635 1/20 0.35
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
HRH2 P25021 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
SCHEMBL13806147 0.85 HTR1A (0.41) MAPTPOLBALDH1A1HPGDRAB9A
SCHEMBL4256021 0.85 NPC1 (0.44) MAPTPOLBPKMALDH1A1HPGD
Hydrochloric Acid SCHEMBL4258032 0.84 HTR1A (0.40) MAPTPOLBALDH1A1HPGDRAB9A
SCHEMBL13806201 0.84 HRH2 (0.40) MAPTHPGDGAASMN1; SMN2MEN1
SCHEMBL4252096 0.84 HRH2 (0.44) POLBALDH1A1HRH2HRH1HTR1A
Hydrochloric Acid SCHEMBL4253181 0.84 HRH2 (0.39) MAPTALDH1A1HPGDGAASMN1; SMN2
Hydrochloric Acid SCHEMBL4257966 0.83 HRH2 (0.43) MAPTPOLBALDH1A1SMN1; SMN2KMT2A
SCHEMBL4253786 0.80 CHRNB2 (0.43) ALDH1A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL13816295 0.78 HTR3A (0.38) MAPTALDH1A1GAANPSR1HTR3E
SCHEMBL4250173 0.77 HTR3A (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C

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 6 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
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 MAPT 4564/4885POLB 3473/4885PKM 4710/4885
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives CCR10, H1-10, CXCL10 MAPT 4459/4885POLB 3166/4885PKM 4717/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 MAPT 2706/4885POLB 1860/4885PKM 4854/4885

“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.