SCHEMBL4852091

SCHEMBL4852091

COCCN1CCN(c2ccc(N3CCC(OC)CC3)cc2C2=CCC3(CCCCC3)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.36
VCP P55072 1/20 0.36
EGFR P00533 3/20 0.35
TMEM97 Q5BJF2 3/20 0.34
CSF1R P07333 1/20 0.34
KIT P10721 1/20 0.34
HTR1A P08908 4/20 0.34
HTR7 P34969 1/20 0.33
CTSS P25774 2/20 0.33
AURKA O14965 1/20 0.33
CDK4 P11802 1/20 0.33
DRD2 P14416 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
ERBB2 P04626 1/20 0.32
SIGMAR1 Q99720 2/20 0.32

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 SCHEMBL4855801 1.00 OPRK1 (0.36) OPRK1VCPEGFRTMEM97CSF1R
Hydrochloric Acid SCHEMBL4860367 0.92 DRD2 (0.37) EGFRTMEM97HTR1AHTR7DRD2
Hydrochloric Acid SCHEMBL4852582 0.91 DRD2 (0.38) EGFRTMEM97HTR1AHTR7DRD2
Hydrochloric Acid SCHEMBL4855049 0.91 HTR1A (0.35) EGFRTMEM97HTR1AHTR7DRD2
Hydrochloric Acid SCHEMBL4854561 0.90 CSF1R (0.38) OPRK1VCPEGFRTMEM97CSF1R
Hydrochloric Acid SCHEMBL5023197 0.90 HTR1A (0.33) VCPEGFRHTR1AHTR7DRD2
Hydrochloric Acid SCHEMBL4858497 0.90 HTR1A (0.37) HTR1ADRD2LMNA
Hydrochloric Acid SCHEMBL4855987 0.90 HTR1A (0.36) EGFRTMEM97HTR1ADRD2
Hydrochloric Acid SCHEMBL4849740 0.89 HTR1A (0.37) HTR1ADRD2LMNA
Hydrochloric Acid SCHEMBL4851134 0.89 OPRD1 (0.35) OPRK1CDK4

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 13 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-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 OPRK1 1360/4885VCP 4736/4885EGFR 2426/4885
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds CCR10, HRH3, HRH2 OPRK1 1136/4885VCP 4755/4885EGFR 2678/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 OPRK1 2007/4885VCP 4796/4885EGFR 2462/4885

“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.