SCHEMBL318549

SCHEMBL318549

CON=C(CCCCl)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.51
DRD4 P21917 10/20 0.51
DRD2 P14416 5/20 0.51
GSK3B P49841 1/20 0.42
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
LMNA P02545 1/20 0.40
PTBP1 P26599 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SIGMAR1 Q99720 1/20 0.38
TRPA1 O75762 1/20 0.37

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
SCHEMBL10252245 1.00 SLC6A4 (0.51) SLC6A4DRD4DRD2GSK3BPPARG
SCHEMBL18601776 0.85 HTR7 (0.53) SLC6A4DRD4DRD2GSK3BPPARG
SCHEMBL6814945 0.85 HTR7 (0.53) SLC6A4DRD4DRD2GSK3BPPARG
SCHEMBL318891 0.84 SLC6A4 (0.51) SLC6A4DRD4DRD2GSK3BPPARG
SCHEMBL10248696 0.84 SLC6A4 (0.51) SLC6A4DRD4DRD2GSK3BPPARG
SCHEMBL11256999 0.83 DRD4 (0.47) SLC6A4DRD4DRD2GSK3BPPARG
SCHEMBL11257002 0.83 DRD4 (0.47) SLC6A4DRD4DRD2GSK3BPPARG
SCHEMBL13147671 0.80 SLC6A4 (0.47) SLC6A4DRD4DRD2GSK3BPPARG
SCHEMBL6811236 0.78 TRPA1 (0.49) SLC6A4DRD4DRD2GSK3BLMNA
SCHEMBL4467279 0.76 GSK3B (0.71) SLC6A4DRD4DRD2GSK3BPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3138841-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2017-03-08 EP disclosed
US-9156840-B2 D2 antagonists, methods of synthesis and methods of use Altos Therapeutics, LLC (US) 2015-10-13 US disclosed
US-20140350005-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-27 US disclosed
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC 2012-01-12 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-20140350005-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 SLC6A4 262/4885DRD4 7/4885DRD2 1/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 SLC6A4 262/4885DRD4 7/4885DRD2 1/4885

“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.