SCHEMBL196686

SCHEMBL196686

O=C(CBr)c1ccc(Cl)nc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.60
GSK3B P49841 4/20 0.57
GRM4 Q14833 4/20 0.55
PTPN1 P18031 3/20 0.48
RAB9A P51151 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.47
DGAT1 O75907 2/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL30093343 1.00 NAPRT (0.60) NAPRTGSK3BGRM4PTPN1RAB9A
Hydrochloric Acid SCHEMBL8788570 0.98 NAPRT (0.58) NAPRTGSK3BGRM4PTPN1RAB9A
SCHEMBL1985578 0.84 NAPRT (0.64) NAPRTGRM4RAB9AL3MBTL1MAPT
SCHEMBL6439911 0.82 NAPRT (0.62) NAPRTGRM4RAB9AL3MBTL1MAPT
SCHEMBL4899048 0.82 NAPRT (0.62) NAPRTGSK3BGRM4RAB9AL3MBTL1
SCHEMBL6389786 0.81 NAPRT (0.60) NAPRTGRM4RAB9AL3MBTL1MAPT
Hydrochloric Acid SCHEMBL4894083 0.81 NAPRT (0.60) NAPRTGSK3BGRM4RAB9AL3MBTL1
SCHEMBL30175321 0.81 NAPRT (0.60) NAPRTGRM4RAB9AL3MBTL1MAPT
SCHEMBL1877325 0.81 NAPRT (0.60) NAPRTGRM4RAB9AL3MBTL1MAPT
Hydrochloric Acid SCHEMBL12098974 0.79 NAPRT (0.58) NAPRTGRM4RAB9AL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0244728-B1 USE OF HETEROARYLETHYL AMINES TO STIMULATE ANIMAL GROWTH, HETEROARYLETHYL AMINES AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1992-11-11 EP claimed
US-12161624-B2 Selective octahydro-cyclopenta[c]pyrrole negative modulators of NR2B NOVARTIS AG (CH) 2024-12-10 US disclosed
EP-4265613-A1 BENZENE RING COMPOUND AND USE THEREOF Nanjing Shijiang Medicine Technology Co., Ltd (CN) 2023-10-25 EP disclosed
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 US disclosed
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 US disclosed
US-20230012073-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B CADENT THERAPEUTICS, INC. (US) 2023-01-12 US disclosed
US-20230012073-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B CADENT THERAPEUTICS, INC. (US) 2023-01-12 US disclosed
US-11116749-B2 Selective octahydro-cyclopenta[c]pyrrole negative modulators of NR2B CADENT THERAPEUTICS, INC (US) 2021-09-14 US disclosed
US-11116749-B2 Selective octahydro-cyclopenta[c]pyrrole negative modulators of NR2B CADENT THERAPEUTICS, INC (US) 2021-09-14 US disclosed
EP-3461827-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B Cadent Therapeutics, Inc. (US) 2019-04-03 EP disclosed
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 US disclosed
EP-2054060-A1 FLUORINATED LIGANDS FOR TARGETING PERIPHERAL BENZODIAZEPINE RECEPTORS AUSTRALIAN NUCLEAR SCIENCE & TECHNOLOGY ORGANISATION (AU) 2009-05-06 EP disclosed
US-20080300279-A1 PIPERIDINE-AMIDE DERIVATIVES F. HOFFMAN-LA ROCHE AG (CH) 2008-12-04 US disclosed
WO-2008145596-A1 PIPERIDINE-AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-12-04 WO disclosed
WO-2008022396-A1 FLUORINATED LIGANDS FOR TARGETING PERIPHERAL BENZODIAZEPINE RECEPTORS AUSTRALIAN NUCLEAR SCIENCE & TECHNOLOGY ORGANISATION (AU) 2008-02-28 WO disclosed
EP-1467981-A1 4(HETERO-) ARYL SUBSTITUTED (THIA-/OXA-/PYRA) ZOLES FOR INHIBITION OF TIE-2 Kylix Pharmaceuticals B.V. (NL) 2004-10-20 EP disclosed
WO-2003062215-A1 4(HETERO-) ARYL SUBSTITUTED (THIA-/OXA-/PYRA) ZOLES FOR INHIBITION OF TIE-2 KYLIX PHARMACEUTICALS B.V. (NL) 2003-07-31 WO disclosed
US-5714506-A ALSO FOR REDUCING LEVELS OF TRIGLYCERIDES AND CHOLESTEROL OR TREATING ATHEROSCLEROSIS MERCK & CO., INC. (US) 1998-02-03 US disclosed
US-5561142-A Substituted sulfonamides as selective β3 agonists for the treatment of diabetes and obesity MERCK & CO., INC. (US) 1996-10-01 US disclosed
EP-0244728-B1 USE OF HETEROARYLETHYL AMINES TO STIMULATE ANIMAL GROWTH, HETEROARYLETHYL AMINES AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1992-11-11 EP 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 (6 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-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NAPRT 2031/4885GSK3B 665/4885GRM4 4355/4885
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 NAPRT 996/4885GSK3B 4125/4885GRM4 3592/4885
US-20230012073-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B GRIN2A, GRIN2C, GRIN3A NAPRT 1333/4885GSK3B 2559/4885GRM4 22/4885
US-20080300279-A1 PIPERIDINE-AMIDE DERIVATIVES CPT1A, CPT1B, CPT2 NAPRT 663/4885GSK3B 4011/4885GRM4 3485/4885
US-11116749-B2 Selective octahydro-cyclopenta[c]pyrrole negative modulators of NR2B GRIN2A, GRIN2C, GRIN3A NAPRT 1333/4885GSK3B 2559/4885GRM4 22/4885
US-12161624-B2 Selective octahydro-cyclopenta[c]pyrrole negative modulators of NR2B GRIN2A, GRIN2C, GRIN3A NAPRT 1333/4885GSK3B 2559/4885GRM4 22/4885

“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.