SCHEMBL12377969

SCHEMBL12377969

Cc1ccc2cc(-c3nnc(SCCCCl)n3C)ccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.56
DRD2 P14416 5/20 0.56
NPC1 O15118 4/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 2/20 0.46
MAPT P10636 4/20 0.43
HDAC3 O15379 2/20 0.42
PTK2 Q05397 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC1 Q13547 1/20 0.42
HPGD P15428 1/20 0.42
KCNH2 Q12809 4/20 0.41

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
SCHEMBL17712975 0.80 NPC1 (0.56) DRD3DRD2NPC1RAB9AMEN1
SCHEMBL18758237 0.79 NPC1 (0.76) DRD3DRD2NPC1RAB9AMEN1
SCHEMBL378553 0.78 DRD3 (0.54) DRD3DRD2NPC1RAB9AMEN1
SCHEMBL17712726 0.78 DRD3 (0.48) DRD3DRD2NPC1RAB9AMEN1
SCHEMBL378206 0.77 KCNH2 (0.61) DRD3DRD2KCNH2HRH1
SCHEMBL20840889 0.76 NPC1 (0.60) DRD3DRD2NPC1RAB9AMEN1
SCHEMBL4385569 0.76 DRD2 (0.71) DRD3DRD2NPC1RAB9AMEN1
SCHEMBL2307119 0.75 GAA (0.44) DRD3DRD2NPC1RAB9AMEN1
SCHEMBL12313266 0.75 KCNH2 (0.73) DRD3DRD2KCNH2
SCHEMBL11914873 0.75 KCNH2 (0.73) DRD3DRD2KCNH2

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-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

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 1/4885DRD2 8/4885NPC1 2170/4885

“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.