SCHEMBL18227900

SCHEMBL18227900

O=C1CCC(CCN2CCN(c3ccccc3)CC2)O1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 8/20 0.60
DRD3 P35462 3/20 0.49
DRD4 P21917 1/20 0.49
KCNH2 Q12809 1/20 0.49
DRD2 P14416 4/20 0.48
SIGMAR1 Q99720 1/20 0.48
HTR1A P08908 1/20 0.47

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
SCHEMBL18227898 1.00 HTR7 (0.60) HTR7DRD3DRD4KCNH2DRD2
SCHEMBL9742163 0.78 GRM2 (0.61) HTR7
SCHEMBL16142256 0.78 HTR7 (0.59) HTR7DRD3DRD4KCNH2DRD2
SCHEMBL22672949 0.78 HTR7 (0.62) HTR7DRD3DRD4DRD2HTR1A
SCHEMBL9742158 0.77 HTR7 (0.59) HTR7DRD3DRD4KCNH2SIGMAR1
SCHEMBL9741903 0.77 HTR7 (0.62) HTR7DRD3DRD4KCNH2DRD2
SCHEMBL9741906 0.77 HTR7 (0.62) HTR7DRD3DRD4KCNH2DRD2
SCHEMBL9741902 0.77 HTR7 (0.62) HTR7DRD3DRD4KCNH2DRD2
SCHEMBL18227877 0.76 HTR7 (0.61) HTR7DRD3DRD4KCNH2DRD2
SCHEMBL18236143 0.75 HTR7 (1.00) HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180221365-A1 NOVEL SIGMA-2 RECEPTOR BINDERS AND THEIR METHOD OF USE Temple University--of the Commonwealth System of Higher Education 2018-08-09 US claimed
WO-2016183150-A1 NOVEL SIGMA-2 RECEPTOR BINDERS AND THEIR METHOD OF USE TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-11-17 WO claimed
US-20220133713-A1 SIGMA-2 RECEPTOR BINDERS AND THEIR METHOD OF USE Temple University--of the Commonwealth System of Higher Education 2022-05-05 US disclosed
US-20180221365-A1 NOVEL SIGMA-2 RECEPTOR BINDERS AND THEIR METHOD OF USE Temple University--of the Commonwealth System of Higher Education 2018-08-09 US disclosed
WO-2016183150-A1 NOVEL SIGMA-2 RECEPTOR BINDERS AND THEIR METHOD OF USE TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-11-17 WO 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-20180221365-A1 NOVEL SIGMA-2 RECEPTOR BINDERS AND THEIR METHOD OF USE SIGMAR1, TMEM97, OPRL1 HTR7 83/4885DRD3 510/4885DRD4 593/4885
US-20220133713-A1 SIGMA-2 RECEPTOR BINDERS AND THEIR METHOD OF USE SIGMAR1, TMEM97, OPRL1 HTR7 68/4885DRD3 613/4885DRD4 736/4885

“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.