SCHEMBL5052033

SCHEMBL5052033

CCCCN1CCN(c2ccc(C(=O)OCC)cc2C2=CCC(C(C)(C)C)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.41
HTR4 Q13639 4/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR1D P28221 1/20 0.40
ADRA1B P35368 1/20 0.40
HTR2B P41595 1/20 0.40
HTR3A P46098 1/20 0.40
SIRT2 Q8IXJ6 5/20 0.39
SIRT1 Q96EB6 5/20 0.39
SIRT3 Q9NTG7 5/20 0.39
HRH3 Q9Y5N1 2/20 0.36
DRD3 P35462 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
KCNH2 Q12809 1/20 0.36

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 SCHEMBL5052028 1.00 PRMT1 (0.41) PRMT1HTR4CHRM4CHRM5ADRA2C
SCHEMBL13806176 0.82 NPC1 (0.39)
Hydrochloric Acid SCHEMBL4254958 0.82 NPC1 (0.39)
Hydrochloric Acid SCHEMBL4849473 0.82 PTGS2 (0.40) CHRM5CHRM3ADRA1BDRD3KCNH2
Hydrochloric Acid SCHEMBL4407555 0.81 PRMT1 (0.44) PRMT1HTR4CHRM4CHRM5ADRA2C
Hydrochloric Acid SCHEMBL4859151 0.81 HTR1A (0.38) DRD3
Hydrochloric Acid SCHEMBL4857691 0.80 DRD2 (0.34) DRD3
SCHEMBL4407558 0.80 PRMT1 (0.45) PRMT1HTR4CHRM4CHRM5ADRA2C
SCHEMBL13806250 0.80 BCL2A1 (0.38) CHRM4CHRM5CHRM3HTR1DADRA1B
Hydrochloric Acid SCHEMBL4412487 0.80 BCL2A1 (0.38) CHRM4CHRM5CHRM3HTR1DADRA1B

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 5 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
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 PRMT1 656/4885HTR4 1016/4885CHRM4 1236/4885
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives CCR10, H1-10, CXCL10 PRMT1 661/4885HTR4 1134/4885CHRM4 943/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 PRMT1 328/4885HTR4 1537/4885CHRM4 499/4885

“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.