SCHEMBL4857249

SCHEMBL4857249

CCCCN1CCN(c2cc(CCC(=O)OC)ccc2C2CCC(C(C)(C)C)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.40
DRD2 P14416 5/20 0.40
DRD3 P35462 4/20 0.40
DRD4 P21917 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HTR7 P34969 4/20 0.38
HRH3 Q9Y5N1 1/20 0.37
CYP2J2 P51589 1/20 0.37

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 SCHEMBL4857242 0.99 HTR1A (0.40) HTR1ADRD2DRD3DRD4HTR2A
SCHEMBL4856469 0.91 DRD2 (0.41) HTR1ADRD2DRD3DRD4HTR2A
Hydrochloric Acid SCHEMBL4856465 0.90 DRD2 (0.41) HTR1ADRD2DRD3DRD4HTR2A
SCHEMBL13806189 0.88 CCR2 (0.39) HTR1ADRD2DRD3DRD4HTR2A
Hydrochloric Acid SCHEMBL4261086 0.88 SIGMAR1 (0.39) HTR1ADRD2DRD3DRD4HTR2A
Hydrochloric Acid SCHEMBL5058306 0.88 HTR1A (0.41) HTR1ADRD2DRD3HTR2ASIGMAR1
SCHEMBL13806190 0.86 SIGMAR1 (0.38) HTR1ADRD2DRD3DRD4HTR2A
Hydrochloric Acid SCHEMBL4551232 0.86 SIGMAR1 (0.38) HTR1ADRD2DRD3DRD4HTR2A
SCHEMBL4854200 0.84 DRD3 (0.41) HTR1ADRD2DRD3DRD4HTR2A
SCHEMBL4850522 0.83 DRD2 (0.44) HTR1ADRD2DRD3DRD4HTR2A

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
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-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-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 HTR1A 1433/4885DRD2 554/4885DRD3 315/4885
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds CCR10, HRH3, HRH2 HTR1A 1013/4885DRD2 528/4885DRD3 284/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 HTR1A 1192/4885DRD2 563/4885DRD3 224/4885

“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.