SCHEMBL2285841

SCHEMBL2285841

Cc1ccc2c(-c3nnc(SCCCCl)n3C)ccc(F)c2n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 16/20 0.42
KCNH2 Q12809 16/20 0.42
DRD2 P14416 4/20 0.42
HRH1 P35367 7/20 0.42
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL17712726 0.81 DRD3 (0.48) DRD3KCNH2DRD2HRH1MEN1
SCHEMBL378206 0.80 KCNH2 (0.61) DRD3KCNH2DRD2HRH1
SCHEMBL14077075 0.77 HSD11B1 (0.36) RAB9AKMT2A
SCHEMBL2307186 0.76 KCNH2 (0.60) DRD3KCNH2DRD2HRH1
SCHEMBL12377972 0.74 HSD11B1 (0.35) RAB9AKMT2A
SCHEMBL378553 0.74 DRD3 (0.54) DRD3KCNH2DRD2MEN1NPC1
SCHEMBL2288693 0.73 DRD3 (0.76) DRD3KCNH2DRD2HRH1
SCHEMBL378338 0.73 KCNH2 (0.77) DRD3KCNH2DRD2CYP1A2
Hydrochloric Acid SCHEMBL2286365 0.73 DRD3 (0.75) DRD3KCNH2DRD2HRH1
SCHEMBL378370 0.73 KCNH2 (0.77) DRD3KCNH2DRD2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003638-B2 7-pyrazolylbenzazepines having affinity for D3 receptor GLAXO GROUP LIMITED (GB) 2011-08-23 US disclosed
US-8003638-B2 7-pyrazolylbenzazepines having affinity for D3 receptor GLAXO GROUP LIMITED (GB) 2011-08-23 US disclosed
US-8003638-B2 7-pyrazolylbenzazepines having affinity for D3 receptor GLAXO GROUP LIMITED (GB) 2011-08-23 US disclosed
US-20080312213-A1 7-Pyrazolylbenzazepines Having Affinity For D3 Receptor GLAXO GROUP LIMITED (GB) 2008-12-18 US disclosed
US-20080312213-A1 7-Pyrazolylbenzazepines Having Affinity For D3 Receptor GLAXO GROUP LIMITED (GB) 2008-12-18 US disclosed
US-20080312213-A1 7-Pyrazolylbenzazepines Having Affinity For D3 Receptor GLAXO GROUP LIMITED (GB) 2008-12-18 US disclosed
EP-1758890-A1 7-PYRAZOLYLBENZAZEPINES HAVING AFFINITY FOR D3 RECEPTOR GLAXO GROUP LIMITED (GB) 2007-03-07 EP disclosed
WO-2005123717-A1 7-PYRAZOLYLBENZAZEPINES HAVING AFFINITY FOR D3 RECEPTOR GLAXO GROUP LIMITED (GB) 2005-12-29 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 (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-20080312213-A1 7-Pyrazolylbenzazepines Having Affinity For D3 Receptor DRD3, HTR3C, GRIN3A DRD3 1/4885KCNH2 162/4885DRD2 8/4885

“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.