SCHEMBL395046

SCHEMBL395046

Cc1cnc(-c2nnc(SCCCN3CC4CC4(c4ccc(C(F)(F)F)nc4)C3)n2C)cn1

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 20/20 0.82
KCNH2 Q12809 20/20 0.82
DRD2 P14416 17/20 0.82
CYP1A2 P05177 1/20 0.60
CYP2C19 P33261 1/20 0.55

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
SCHEMBL378773 1.00 DRD3 (0.82) DRD3KCNH2DRD2CYP1A2CYP2C19
SCHEMBL12313316 1.00 DRD3 (0.82) DRD3KCNH2DRD2CYP1A2CYP2C19
SCHEMBL11911831 1.00 DRD3 (0.82) DRD3KCNH2DRD2CYP1A2CYP2C19
SCHEMBL12313318 0.90 DRD3 (0.82) DRD3KCNH2DRD2CYP1A2CYP2C19
SCHEMBL378470 0.90 DRD3 (0.82) DRD3KCNH2DRD2CYP1A2CYP2C19
SCHEMBL11915457 0.90 DRD3 (0.82) DRD3KCNH2DRD2CYP1A2CYP2C19
SCHEMBL11911832 0.90 DRD3 (0.82) DRD3KCNH2DRD2CYP1A2CYP2C19
SCHEMBL378312 0.90 DRD3 (1.00) DRD3KCNH2DRD2CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL396654 0.89 DRD3 (0.98) DRD3KCNH2DRD2CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL4551573 0.89 DRD3 (0.98) DRD3KCNH2DRD2CYP1A2CYP2C19

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
US-8263782-B2 Azabicyclo (3.1.0) hexane derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-09-11 US claimed
US-20120196910-A1 USE OF AZABICYCLO HEXANE DERIVATIVES HAMPRECHT DIETER (IT) 2012-08-02 US disclosed
EP-2060570-B1 Azabicyclo[3.1.0] hexane derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LTD (GB) 2012-01-25 EP disclosed
US-7855298-B2 Azabicyclo (3.1.0.) hexane derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2010-12-21 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-20120196910-A1 USE OF AZABICYCLO HEXANE DERIVATIVES HTT, GBA2, GBA1 DRD3 1131/4885KCNH2 4867/4885DRD2 772/4885

“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.