SCHEMBL4858438

SCHEMBL4858438

CC1(C)CC(c2ccccc2N2CCN(CC(F)F)CC2)CC(C)(C)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
DRD2 P14416 7/20 0.38
DRD3 P35462 4/20 0.38
HTR1A P08908 4/20 0.38
ADRA1B P35368 1/20 0.38
HTR7 P34969 2/20 0.37
IGF1R P08069 2/20 0.37
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35

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 SCHEMBL4856411 0.99 KDM4E (0.38) KDM4ESMN1; SMN2DRD2DRD3HTR1A
Hydrochloric Acid SCHEMBL4859641 0.88 KDM4E (0.41) KDM4ESMN1; SMN2DRD2DRD3HTR1A
SCHEMBL14064798 0.87 DRD2 (0.55) KDM4EDRD2DRD3HTR1AHTR7
Hydrochloric Acid SCHEMBL4856711 0.86 DRD2 (0.54) KDM4EDRD2DRD3HTR1AHTR7
Hydrochloric Acid SCHEMBL4857996 0.85 DRD2 (0.39) KDM4EDRD2DRD3HTR1AADRA1B
SCHEMBL4858392 0.84 HTR1A (0.40) KDM4EHTR1AADRA1BHTR7
SCHEMBL14072983 0.84 CHRNA7 (0.44) KDM4ESMN1; SMN2DRD2DRD3HTR1A
SCHEMBL4858220 0.84 HTR1A (0.43) KDM4EDRD2DRD3HTR1AADRA1B
Hydrochloric Acid SCHEMBL4858069 0.83 HTR1A (0.40) KDM4EHTR1AADRA1BHTR7
Hydrochloric Acid SCHEMBL4852826 0.83 CHRNA7 (0.43) KDM4ESMN1; SMN2DRD2DRD3HTR1A

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 KDM4E 3710/4885SMN1; SMN2 2729/4885DRD2 554/4885
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds CCR10, HRH3, HRH2 KDM4E 3582/4885SMN1; SMN2 2692/4885DRD2 528/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 KDM4E 3905/4885SMN1; SMN2 1754/4885DRD2 563/4885

“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.