SCHEMBL14064797

SCHEMBL14064797

CCC(C#N)CN1CCN(c2ccccc2C2CC(C)(C)CC(C)(C)C2)CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.37
DRD3 P35462 4/20 0.37
HTR7 P34969 9/20 0.36
HTR1A P08908 9/20 0.36
ADRA1B P35368 1/20 0.34
SIGMAR1 Q99720 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
IGF1R P08069 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 SCHEMBL4849938 0.99 DRD2 (0.36) DRD2DRD3HTR7HTR1AADRA1B
Hydrochloric Acid SCHEMBL4857996 0.84 DRD2 (0.39) DRD2DRD3HTR7HTR1AADRA1B
SCHEMBL14072983 0.84 CHRNA7 (0.44) DRD2DRD3HTR1AADRA1BSIGMAR1
SCHEMBL14064798 0.83 DRD2 (0.55) DRD2DRD3HTR7HTR1AKDM4E
Hydrochloric Acid SCHEMBL4852826 0.82 CHRNA7 (0.43) DRD2DRD3HTR1AADRA1BSIGMAR1
Hydrochloric Acid SCHEMBL4856711 0.82 DRD2 (0.54) DRD2DRD3HTR7HTR1AKDM4E
SCHEMBL4858438 0.82 KDM4E (0.38) DRD2DRD3HTR7HTR1AADRA1B
Hydrochloric Acid SCHEMBL4859641 0.82 KDM4E (0.41) DRD2DRD3HTR1AADRA1BKDM4E
SCHEMBL4253554 0.82 HTR7 (0.41) DRD2HTR7HTR1AADRA1BKDM4E
Hydrochloric Acid SCHEMBL4856411 0.81 KDM4E (0.38) DRD2DRD3HTR7HTR1AADRA1B

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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 315/4885HTR7 1508/4885

“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.