SCHEMBL4254420

SCHEMBL4254420

CCCCN1CCN(C2=COC(c3ccccc3C3=CC(C)(C)CC(C)(C)C3)O2)CC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 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 SCHEMBL4249834 0.99 DRD2 (0.33) DRD2DRD3
Hydrochloric Acid SCHEMBL4253185 0.94 DRD2 (0.34) DRD2
Hydrochloric Acid SCHEMBL4255109 0.85 HTR2C (0.31)
Hydrochloric Acid SCHEMBL5050453 0.78 DRD2 (0.36) DRD2DRD3KDM4ELMNA
SCHEMBL4252063 0.78 DRD2 (0.49) DRD2DRD3KDM4ELMNA
Hydrochloric Acid SCHEMBL4856512 0.78 DRD2 (0.41) DRD2DRD3
Hydrochloric Acid SCHEMBL4859631 0.77 DRD2 (0.48) DRD2DRD3KDM4ELMNA
Hydrochloric Acid SCHEMBL4853747 0.75 SIGMAR1 (0.44) DRD2DRD3
Hydrochloric Acid SCHEMBL4859093 0.74 KDM4E (0.51) DRD2DRD3KDM4ELMNA
Hydrochloric Acid SCHEMBL4855951 0.74 DRD2 (0.38) DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 US disclosed
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives EISAI R&D MANAGEMENT CO., LTD. 2006-12-14 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 (2 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-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE CCR10, H1-10, VCAM1 DRD2 746/4885DRD3 638/4885KDM4E 2662/4885
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives CCR10, H1-10, CXCL10 DRD2 768/4885DRD3 610/4885KDM4E 2695/4885

“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.