SCHEMBL4253965

SCHEMBL4253965

CCCN1CCN(c2ccc(Br)cc2C2CCC(CC)(CC)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 4/20 0.40
DRD2 P14416 12/20 0.39
DRD3 P35462 3/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
HTR1A P08908 2/20 0.36
ADRA1B P35368 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
SLC6A4 P31645 3/20 0.36

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
SCHEMBL4253361 0.83 NCF1 (0.39) HTR2BDRD2DRD3DRD4HTR1A
Hydrochloric Acid SCHEMBL4858549 0.83 DRD2 (0.38) DRD2DRD3SIGMAR1
SCHEMBL4251922 0.83 DRD2 (0.40) DRD2DRD3DRD4HTR1AADRA1B
SCHEMBL4856942 0.83 DRD2 (0.41) DRD2DRD3DRD4HTR1AADRA1B
Hydrochloric Acid SCHEMBL4850109 0.82 TMEM97 (0.39) DRD2DRD3SIGMAR1
Hydrochloric Acid SCHEMBL4859541 0.82 HTR1A (0.50) DRD2DRD3HTR1AADRA1BLMNA
SCHEMBL27671019 0.82 RBP4 (0.44) LMNAGAA
Hydrochloric Acid SCHEMBL4856284 0.81 DRD2 (0.40) DRD2DRD3SIGMAR1
Hydrochloric Acid SCHEMBL4859404 0.79 DRD2 (0.34) DRD2DRD3SIGMAR1
Hydrochloric Acid SCHEMBL4859410 0.79 DRD2 (0.34) DRD2DRD3SIGMAR1

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 6 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-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 US disclosed
US-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 US disclosed
EP-1892238-A1 1, 2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2008-02-27 EP disclosed
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives EISAI R&D MANAGEMENT CO., LTD. 2006-12-14 US disclosed
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-12-07 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-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE CCR10, H1-10, VCAM1 HTR2B 786/4885DRD2 746/4885DRD3 638/4885
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives CCR10, H1-10, CXCL10 HTR2B 849/4885DRD2 768/4885DRD3 610/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 HTR2B 1361/4885DRD2 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.