SCHEMBL3076096

SCHEMBL3076096

c1ccc2cc(C3CCC3)ncc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
ABL1 P00519 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2A6 P11509 1/20 0.44
PDPK1 O15530 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 3/20 0.41
KDM4E B2RXH2 1/20 0.40
BTK Q06187 1/20 0.40
RAB9A P51151 2/20 0.39
KDM4C Q9H3R0 1/20 0.38
HTR3A P46098 1/20 0.38
PLAU P00749 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
GRM4 Q14833 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL22288174 0.96 L3MBTL1 (0.56) L3MBTL1ABL1CYP1A2CYP2A6PDPK1
SCHEMBL20623030 0.94 L3MBTL1 (0.58) L3MBTL1ABL1CYP1A2CYP2A6PDPK1
SCHEMBL22288137 0.94 L3MBTL1 (0.58) L3MBTL1ABL1CYP1A2CYP2A6PDPK1
SCHEMBL30452394 0.94 L3MBTL1 (0.58) L3MBTL1ABL1CYP1A2CYP2A6PDPK1
SCHEMBL1536419 0.92 CYP1A2 (0.47) L3MBTL1ABL1CYP1A2CYP2A6PDPK1
SCHEMBL10834084 0.85 HRH4 (0.46) L3MBTL1ABL1CYP1A2KDM4EHTR3A
SCHEMBL12533934 0.84 CYP1A2 (0.47) L3MBTL1CYP1A2CYP2A6PDPK1TDP1
SCHEMBL12533933 0.84 CYP1A2 (0.47) L3MBTL1CYP1A2CYP2A6PDPK1TDP1
SCHEMBL12533940 0.84 CYP1A2 (0.47) L3MBTL1CYP1A2CYP2A6PDPK1TDP1
SCHEMBL12533935 0.84 CYP1A2 (0.47) L3MBTL1CYP1A2CYP2A6PDPK1TDP1

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-8207331-B2 Benzazepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
US-7799773-B2 Benzazepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2010-09-21 US disclosed
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GLAXO GROUP LIMITED 2010-06-10 US disclosed
US-7704994-B2 Benzazepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2010-04-27 US disclosed
US-7696193-B2 Benzazepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2010-04-13 US disclosed
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS BAMFORD MARK JAMES 2009-04-23 US disclosed
US-20070299056-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS BAMFORD MARK J 2007-12-27 US disclosed
US-20060040918-A1 Benzo d!azepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2006-02-23 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 (4 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-20060040918-A1 Benzo d!azepine derivatives for the treatment of neurological disorders DRD1, DRD2, DRD3 L3MBTL1 2914/4885ABL1 1718/4885CYP1A2 79/4885
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, GRIN2A, GRIN2B L3MBTL1 2345/4885ABL1 2018/4885CYP1A2 429/4885
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GRIN2C, GRIN2A, GRIN2B L3MBTL1 2345/4885ABL1 2018/4885CYP1A2 429/4885
US-20070299056-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, TPH1, GRIN2B L3MBTL1 1495/4885ABL1 1466/4885CYP1A2 153/4885

“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.