SCHEMBL3183333

SCHEMBL3183333

Brc1ccc(N2CC[N]CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.44
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 4/20 0.38
IGF1R P08069 2/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
CHKA P35790 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.36
CYP2A6 P11509 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MEN1 O00255 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
SCHEMBL2095208 0.92 KMT2A (0.44) AKR1C3KMT2AUSP2MAPTCHKA
SCHEMBL31252540 0.83 AKR1C3 (0.57) AKR1C3KMT2AUSP2MAPTIGF1R
SCHEMBL23705658 0.78 KMT2A (0.53) AKR1C3KMT2AUSP2MAPTCHKA
SCHEMBL382079 0.78 KMT2A (0.58) AKR1C3KMT2AUSP2MAPTCHKA
SCHEMBL220360 0.77 HTR3E (0.57) AKR1C3KMT2AMAPTALDH1A1GAA
SCHEMBL662317 0.77 MAPT (0.52) KMT2AMAPTALDH1A1GAAMEN1
SCHEMBL216663 0.77 ALDH1A1 (0.57) KMT2AMAPTALDH1A1GAAMEN1
SCHEMBL7513534 0.77 LTA4H (0.47) AKR1C3KMT2AUSP2MAPTCHKA
SCHEMBL240624 0.77 ADRB1 (0.57) AKR1C3KMT2AUSP2MAPTALDH1A1
SCHEMBL2703274 0.76 ALDH1A1 (0.58) AKR1C3KMT2AUSP2MAPTCHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105294557-A Preparation and application of 7-hydroxy-6-arylcarbonylquinolinone compounds UNIV SHENYANG PHARMACEUTICAL 2016-02-03 CN claimed
CN-105237474-A Preparation method and application of 6-hydroxy-7-arylformylquinolinone compounds UNIV SHENYANG PHARMACEUTICAL 2016-01-13 CN claimed
CN-105294557-A Preparation and application of 7-hydroxy-6-arylcarbonylquinolinone compounds UNIV SHENYANG PHARMACEUTICAL 2016-02-03 CN disclosed
CN-105237474-A Preparation method and application of 6-hydroxy-7-arylformylquinolinone compounds UNIV SHENYANG PHARMACEUTICAL 2016-01-13 CN disclosed
EP-2489660-A1 Methods for making central nervous system agents that are TRPV1 antagonists Abbott Laboratories (US) 2012-08-22 EP disclosed
US-8247413-B2 e.g. N-[2-(3-fluorophenyl)ethyl]-N'-isoquinolin-5-ylurea; opioid receptor inhibitor; analgesic, antiinflammatory agent; inflammatory thermal hyperalgesia, urinary incontinence and bladder overactivity ABBOTT LABORATORIES (US) 2012-08-21 US disclosed
US-8232411-B2 Methods for making central nervous system agents that are TRPV1 antagonists ABBOTT LABORATORIES (US) 2012-07-31 US disclosed
CN-102036969-A Methods for making central nervous system agents that are TRPV1 antagonists ABBOTT LAB 2011-04-27 CN disclosed
US-20100016611-A1 METHODS FOR MAKING CENTRAL NERVOUS SYSTEM AGENTS THAT ARE TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-01-21 US disclosed
EP-1478363-B1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LAB (US) 2009-01-14 EP disclosed
WO-2008146063-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT6 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR Nyilvánosan Müködö Részvénytársagág (HU) 2008-12-04 WO disclosed
WO-2003070247-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2003-08-28 WO disclosed
US-20030158198-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2003-08-21 US disclosed
US-5081112-A Administering an aryl phosphonate carboxamide OTSUKA PHARMACEUTICAL FACTORY INC. (JP) 1992-01-14 US disclosed
US-5055474-A Antihypoxia, hypotensive, antiinflammatory agents; anoxia treatment OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-10-08 US disclosed
EP-0173331-B1 2,3-DIHYDRO-1H-INDENE DERIVATIVES, A PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-08-14 EP disclosed
US-4895847-A ANTIHYPOXIC, ANTIINFLAMMATORY, HYPOTENSIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-01-23 US disclosed
US-4822780-A CALCIUM ANTAGONIST, ANTIINFLAMMATORY AGENT OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1989-04-18 US disclosed
US-4788130-A ANTIHYDOXIC, HYPOTENSIVE, ANTIINFLAMMATORY AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-11-29 US disclosed
EP-0173331-A2 2,3-Dihydro-1H-indene derivatives, a process for preparing them and pharmaceutical compositions containing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-03-05 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 (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-20100016611-A1 METHODS FOR MAKING CENTRAL NERVOUS SYSTEM AGENTS THAT ARE TRPV1 ANTAGONISTS TRPV1, TRPV2, OPRL1 AKR1C3 607/4885KMT2A 3745/4885USP2 1149/4885
US-20030158198-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, VIPR1, TMEM109 AKR1C3 843/4885KMT2A 2802/4885USP2 2426/4885

“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.