SCHEMBL4857950

SCHEMBL4857950

CC1(C)CCC(c2ccccc2N2CCN(Cc3ccco3)CC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 1/20 0.54
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
TRPV6 Q9H1D0 1/20 0.46
HTR1A P08908 1/20 0.44
ADRA1B P35368 1/20 0.44
CXCR3 P49682 1/20 0.43
SIGMAR1 Q99720 3/20 0.41
KMT2A Q03164 2/20 0.39
SRPK1 Q96SB4 1/20 0.39
MEN1 O00255 1/20 0.38

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 SCHEMBL4852427 0.99 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HTTMAPTTSHR
Hydrochloric Acid SCHEMBL4848000 0.88 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HTTMAPTTSHR
SCHEMBL27773214 0.84 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HTTMAPTTSHR
Hydrochloric Acid SCHEMBL4857438 0.84 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2HTTMAPTTSHR
Hydrochloric Acid SCHEMBL4849950 0.83 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HTTMAPTTSHR
Hydrochloric Acid SCHEMBL4856948 0.83 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HTTMAPTTSHR
Hydrochloric Acid SCHEMBL4853294 0.82 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HTTMAPTTSHR
SCHEMBL4858782 0.81 KDM4E (0.55) ALDH1A1HTR1AADRA1BKMT2ASRPK1
Hydrochloric Acid SCHEMBL4857918 0.81 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2HTTMAPTTSHR
Hydrochloric Acid SCHEMBL4857925 0.81 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2HTTMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1698620-B1 BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS EISAI R&D MAN CO LTD (JP) 2016-09-28 EP disclosed
EP-1698620-B1 BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS EISAI R&D MAN CO LTD (JP) 2016-09-28 EP disclosed
US-7425554-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
US-7425554-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
US-7425554-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
US-7410971-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-08-12 US disclosed
US-7410971-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-08-12 US disclosed
US-7410971-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-08-12 US disclosed
US-20070112002-A1 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-17 US disclosed
US-20070112002-A1 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-17 US disclosed
US-20070112002-A1 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-17 US disclosed
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-12-07 US disclosed
EP-1698620-A1 BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS Eisai Co., Ltd. (JP) 2006-09-06 EP disclosed
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 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-20070112002-A1 1,2-di(cyclic)substituted benzene compounds CCR10, HRH3, HRH1 ALDH1A1 707/4885SMN1; SMN2 2729/4885HTT 2693/4885
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds CCR10, HRH3, HRH2 ALDH1A1 705/4885SMN1; SMN2 2692/4885HTT 2620/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 ALDH1A1 617/4885SMN1; SMN2 1754/4885HTT 2097/4885

“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.