SCHEMBL2312419

SCHEMBL2312419

Cc1c2c(cc3nc(C(F)(F)F)oc13)CCNCC2

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 8/20 0.41
KCNH2 Q12809 8/20 0.41
HRH1 P35367 3/20 0.40
DRD2 P14416 3/20 0.40
HTR2B P41595 3/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ELANE P08246 3/20 0.35

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
SCHEMBL2308461 0.84 DRD3 (0.40) DRD3KCNH2HRH1DRD2HTR2B
SCHEMBL2310044 0.82 HTR2B (0.39) DRD3KCNH2DRD2HTR2BHTR2A
SCHEMBL2307639 0.77 KCNH2 (0.41) DRD3KCNH2HRH1DRD2HTR2B
Hydrochloric Acid SCHEMBL2358964 0.75 DRD3 (0.32) DRD3KCNH2HRH1DRD2
SCHEMBL2310821 0.75 DRD2 (0.39) DRD3KCNH2DRD2HTR2BHTR2A
SCHEMBL12386969 0.72 DRD3 (0.57) DRD3KCNH2HRH1DRD2
SCHEMBL4878438 0.69 HTR2A (0.44) DRD3KCNH2HRH1HTR2BHTR2A
SCHEMBL2309741 0.69 DRD3 (0.39) DRD3KCNH2HRH1DRD2HTR2B
SCHEMBL2310009 0.67 DRD3 (0.42) DRD3KCNH2DRD2HTR2BHTR2A
SCHEMBL2310815 0.66 LMNA (0.43) DRD3KCNH2DRD2HTR2BHTR2A

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-1751163-B1 BENZAZEPINE COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF GLAXO GROUP LTD (GB) 2011-08-10 EP disclosed
US-7989444-B2 Compounds having affinity for dopamine D3 receptor and uses thereof GLAXO GROUP LIMITED (GB) 2011-08-02 US disclosed
US-7989444-B2 Compounds having affinity for dopamine D3 receptor and uses thereof GLAXO GROUP LIMITED (GB) 2011-08-02 US disclosed
US-7989444-B2 Compounds having affinity for dopamine D3 receptor and uses thereof GLAXO GROUP LIMITED (GB) 2011-08-02 US disclosed
US-20100016287-A1 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF\ GLAXO GROUP LIMITED (GB) 2010-01-21 US disclosed
US-20100016287-A1 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF\ GLAXO GROUP LIMITED (GB) 2010-01-21 US disclosed
US-20100016287-A1 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF\ GLAXO GROUP LIMITED (GB) 2010-01-21 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-20100016287-A1 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF\ DRD3, DRD2, SLC6A3 DRD3 1/4885KCNH2 856/4885HRH1 879/4885

“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.