SCHEMBL4857232

SCHEMBL4857232

CCCN1CCN(c2cccc(C)c2C2=CC(C)(C)CC(C)(C)C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.44
DRD3 P35462 4/20 0.44
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
HTR1A P08908 3/20 0.37
ADRA1B P35368 1/20 0.37
HTR6 P50406 1/20 0.36
DRD4 P21917 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 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 SCHEMBL4858333 0.99 DRD2 (0.43) DRD2DRD3MEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL4852571 0.92 DRD2 (0.46) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL4256465 0.88 DRD2 (0.43) DRD2DRD3ALDH1A1SIGMAR1HTR1A
Hydrochloric Acid SCHEMBL4857271 0.87 DRD2 (0.43) DRD2DRD3ALDH1A1SIGMAR1HTR1A
Hydrochloric Acid SCHEMBL4848188 0.84 OPRL1 (0.39) DRD2HTR2ALMNA
Hydrochloric Acid SCHEMBL4857450 0.82 HTR7 (0.38) DRD2DRD3SIGMAR1HTR1A
Hydrochloric Acid SCHEMBL4860048 0.81 DRD2 (0.46) DRD2DRD3SIGMAR1HTR1AADRA1B
SCHEMBL4853900 0.81 ADRB1 (0.50) HTR1AHTR6HTR2AHTR2C
Hydrochloric Acid SCHEMBL4858478 0.81 DRD2 (0.45) DRD2DRD3HTR1AHTR6DRD4
Hydrochloric Acid SCHEMBL4857869 0.76 HTR1A (0.38) DRD2DRD3MEN1ALDH1A1KMT2A

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 DRD2 554/4885DRD3 315/4885MEN1 3432/4885
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds CCR10, HRH3, HRH2 DRD2 528/4885DRD3 284/4885MEN1 2969/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 DRD2 563/4885DRD3 224/4885MEN1 2159/4885

“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.