SCHEMBL188863

SCHEMBL188863

CCCOc1cncc(Br)c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.47
CHRNA4 P43681 4/20 0.47
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
Propanol SCHEMBL7178295 0.93 CHRNB2 (0.43) CHRNB2CHRNA4NPC1RAB9ALMNA
SCHEMBL7924171 0.91 MAPT (0.47) CHRNB2CHRNA4LMNACYP1A2CYP3A4
SCHEMBL1557490 0.89 GGPS1 (0.49) CHRNB2CHRNA4NPC1RAB9ACYP3A4
SCHEMBL27880039 0.87 GGPS1 (0.51) CHRNB2CHRNA4
SCHEMBL19668758 0.86 CHRNB2 (0.46) CHRNB2CHRNA4NPC1RAB9A
SCHEMBL188568 0.84 CHRNB2 (0.49) CHRNB2CHRNA4
SCHEMBL21968171 0.83 NPC1 (0.45) CHRNB2CHRNA4NPC1RAB9ALMNA
SCHEMBL30174297 0.83 CHRNB2 (0.49) CHRNB2CHRNA4NPC1RAB9ALMNA
SCHEMBL428322 0.83 CHRNB2 (0.49) CHRNB2CHRNA4NPC1RAB9ALMNA
SCHEMBL17841473 0.82 CHRNB2 (0.46) CHRNB2CHRNA4NPC1RAB9A

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230142546-A1 RADIOPHARMACEUTICALS AND COMPOSITION FOR THROMBUS IMAGING THE ASAN FOUNDATION (KR) 2023-05-11 US disclosed
US-20230129721-A1 STABILIZER FOR RADIOPHARMACEUTICALS AND RADIOPHARMACEUTICAL COMPOSITION COMPRISING THE SAME THE ASAN FOUNDATION (KR) 2023-04-27 US disclosed
EP-3808739-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Vertex Pharmaceuticals Incorporated (US) 2021-04-21 EP disclosed
EP-3309152-B1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMA (US) 2020-09-09 EP disclosed
US-10183933-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-01-22 US disclosed
EP-3309152-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Vertex Pharmaceuticals Incorporated (US) 2018-04-18 EP disclosed
EP-2516417-B1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMA (US) 2017-10-11 EP disclosed
US-9783536-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2017-10-10 US disclosed
US-20170260175-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED 2017-09-14 US disclosed
US-9676759-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-06-13 US disclosed
CN-101357915-A Diazabicyclic central nervous system active agents ABBOTT LAB (US) 2009-02-04 CN disclosed
CN-100430398-C Diazabicyclic central nervous system active agents ABBOTT LAB (US) 2008-11-05 CN disclosed
US-20080097094-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS ABBOTT LABORATORIES (US) 2008-04-24 US disclosed
US-7319106-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2008-01-15 US disclosed
CN-100355755-C Diazabicyclic central nervous system active agents ABBOTT LAB (US) 2007-12-19 CN disclosed
CN-1765899-A Diazabicyclic central nervous system active agents ABBOTT LAB (US) 2006-05-03 CN disclosed
US-6809105-B2 (CIS)-6-(3-PYRIDINYL)-3,6-DIAZABICYCLO(3.2.0) HEPTANE FOR EXAMPLE; ALZHEIMER'S DISEASE, PARKINSON'S DISEASE, ATTENTION DEFICIT HYPERACTIVITY DISORDER, DEPRESSION, NICOTINIC WITHDRAWAL SYNDROME, TOURETTE'S SYNDROME, AND SCHIZOPHRENIA ABBOTT LABORATORIES 2004-10-26 US disclosed
US-20040186107-A1 Diazabicyclic central nervous system active agents ABBVIE INC. 2004-09-23 US disclosed
CN-1440410-A Diazabicyclic central nervous system active agents ABBOTT LAB (US) 2003-09-03 CN disclosed
US-20020019388-A1 Diazabicyclic central nervous system active agents ABBVIE INC. 2002-02-14 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 (7 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-20080097094-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 CHRNB2 10/4885CHRNA4 11/4885NPC1 408/4885
US-20230142546-A1 RADIOPHARMACEUTICALS AND COMPOSITION FOR THROMBUS IMAGING SERPINC1, F3, F11 CHRNB2 4777/4885CHRNA4 4853/4885NPC1 901/4885
US-20020019388-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 CHRNB2 11/4885CHRNA4 8/4885NPC1 333/4885
US-20230129721-A1 STABILIZER FOR RADIOPHARMACEUTICALS AND RADIOPHARMACEUTICAL COMPOSITION COMPRISING THE SAME GC, ADORA2B, TBCB CHRNB2 2948/4885CHRNA4 4111/4885NPC1 238/4885
US-20040186107-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 CHRNB2 11/4885CHRNA4 8/4885NPC1 333/4885
US-20170260175-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 CHRNB2 4051/4885CHRNA4 4409/4885NPC1 802/4885
US-10183933-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase PIK3CD, PIK3CA, PIK3R5 CHRNB2 4051/4885CHRNA4 4409/4885NPC1 802/4885

“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.