SCHEMBL4877877

SCHEMBL4877877

Cc1ccc2cc(-c3nnc(S)n3C)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
CASP6 P55212 1/20 0.44
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
HSD11B1 P28845 4/20 0.38
PIK3CD O00329 1/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
HCK P08631 1/20 0.37
SRC P12931 1/20 0.37
KDR P35968 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
MTOR P42345 1/20 0.37
PIK3CG P48736 1/20 0.37
EPHB4 P54760 1/20 0.37
PRKDC P78527 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
SCHEMBL14077040 0.84 CYP1A2 (0.49) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL5105688 0.79 RAB9A (0.56) CYP1A2KDM4EPOLBPIK3CDABL1
SCHEMBL14557023 0.73 LMNA (0.42) KDM4ELMNAPOLBDRD2HSD11B1
SCHEMBL19612589 0.72 HPGDS (0.39) DRD2DRD3HSD11B1PIK3CDPIK3CA
SCHEMBL14557028 0.72 HSD11B1 (0.34) DRD2HSD11B1
SCHEMBL12377969 0.72 DRD3 (0.56) CYP1A2KDM4EDRD2DRD3KCNH2
SCHEMBL22815745 0.71 HSD11B1 (0.60) LMNAHSD11B1
SCHEMBL4877749 0.71 HSD11B1 (0.39) CYP1A2DRD3HSD11B1KCNH2
SCHEMBL1544604 0.71 NPC1 (0.51) CYP1A2LMNAPOLBHSD11B1
SCHEMBL2288901 0.71 HSD17B10 (0.56) CYP1A2KDM4ELMNAPOLBCASP6

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 5 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
US-20080139532-A1 Tetrahydrobenzazepine Derivatives as Modulators of Dopamine D3 Receptors (Antipsychotic Agents) GLAXO GROUP LIMITED (GB) 2008-06-12 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-20080312213-A1 7-Pyrazolylbenzazepines Having Affinity For D3 Receptor DRD3, HTR3C, GRIN3A CYP1A2 662/4885KDM4E 2480/4885LMNA 4535/4885
US-20080139532-A1 Tetrahydrobenzazepine Derivatives as Modulators of Dopamine D3 Receptors (Antipsychotic Agents) DRD3, DRD2, SLC6A3 CYP1A2 1169/4885KDM4E 2211/4885LMNA 4658/4885

“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.