SCHEMBL2646178

SCHEMBL2646178

Clc1cc(N2CCCCC2)c(Cl)nn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GFER P55789 1/20 0.44
ALDH1A1 P00352 6/20 0.43
POLB P06746 4/20 0.43
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
CHKA P35790 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A3 P47895 1/20 0.37
CASP1 P29466 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPK1 P28482 2/20 0.37
PKM P14618 2/20 0.37
ALOX15 P16050 2/20 0.37
APAF1 O14727 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
SCHEMBL30893809 1.00 CYP1A2 (0.48) CYP1A2MEN1KMT2AGFERALDH1A1
SCHEMBL2648429 0.98 CYP1A2 (0.46) CYP1A2MEN1KMT2AGFERALDH1A1
Piperidine SCHEMBL2647262 0.90 CYP1A2 (0.41) CYP1A2MEN1KMT2AGFERALDH1A1
SCHEMBL2655169 0.84 ALDH1A1 (0.40) CYP1A2MEN1KMT2AGFERALDH1A1
SCHEMBL30378500 0.81 MAPT (0.46) CYP1A2KMT2AKDM4ETDP1ALDH1A3
SCHEMBL30282824 0.81 BPTF (0.51) CYP1A2MEN1KMT2AALDH1A1KDM4E
SCHEMBL2647859 0.81 MAPT (0.46) CYP1A2KMT2AKDM4ETDP1ALDH1A3
SCHEMBL18038817 0.81 SMARCA2 (0.51) CYP1A2MEN1KMT2AALDH1A1POLB
SCHEMBL15687937 0.78 SMARCA2 (0.50) CYP1A2MEN1KMT2AALDH1A1POLB
SCHEMBL24961981 0.78 CNR2 (0.37) TDP1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240294550-A1 8-OXA-3-AZABICYCLO[3.2.1]OCTANE COMPOUNDS OR SALT THEREOF, AND PREPARATION METHOD AND USE THEREOF LITTDD MEDICINES LTD (CN) 2024-09-05 US disclosed
EP-4378943-A1 8-OXO-3-AZABICYCLO[3.2.1]OCTANE COMPOUND OR SALT THEREOF, AND PREPARATION METHOD THEREFOR AND USE THEREOF Littdd Medicines Ltd (CN) 2024-06-05 EP disclosed
CN-118043325-A 8-Oxo-3-azabicyclo [3.2.1] octane compound or salt thereof, and preparation method and application thereof 励缔(杭州)医药科技有限公司 2024-05-14 CN disclosed
CN-115677730-A 8-oxygen-3-azabicyclo [3.2.1] octane compound or salt thereof, and preparation method and application thereof 上海辉启生物医药科技有限公司 2023-02-03 CN disclosed
WO-2023005928-A1 8-OXO-3-AZABICYCLO[3.2.1]OCTANE COMPOUND OR SALT THEREOF, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海辉启生物医药科技有限公司 2023-02-02 WO disclosed
WO-2023005928-A1 8-OXO-3-AZABICYCLO[3.2.1]OCTANE COMPOUND OR SALT THEREOF, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海辉启生物医药科技有限公司 2023-02-02 WO disclosed
US-9115142-B2 Heterocycle-substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-25 US disclosed
US-8877758-B2 Combinations of medicaments, containing PDE4-inhibitors and EP4-receptor-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
US-8759326-B2 Drug combinations containing PDE4 inhibitors and NSAIDs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
US-20140107103-A1 HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-17 US disclosed
US-20140031343-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-30 US disclosed
US-8637519-B2 Heterocycle-substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-28 US disclosed
US-20130237527-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4-INHIBITORS AND EP4-RECEPTOR-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-12 US disclosed
US-20120028932-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
US-20100305102-A1 HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-02 US disclosed
EP-0915875-B1 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2003-04-09 EP disclosed
US-6255305-B1 PSYCHOLOGICAL DISORDERS MERCK SHARP & DOHME LIMITED (GB) 2001-07-03 US disclosed
EP-0915875-A2 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 1999-05-19 EP disclosed
WO-1998004559-A2 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1998-02-05 WO 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-20240294550-A1 8-OXA-3-AZABICYCLO[3.2.1]OCTANE COMPOUNDS OR SALT THEREOF, AND PREPARATION METHOD AND USE THEREOF ATR, OGG1, ATRIP CYP1A2 1567/4885MEN1 1676/4885KMT2A 984/4885
US-20140031343-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS PTGER4, PDE4A, PDE12 CYP1A2 73/4885MEN1 3783/4885KMT2A 3573/4885
US-20100305102-A1 HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES SULT2A1, DPYD, HRH2 CYP1A2 133/4885MEN1 2807/4885KMT2A 3003/4885
US-20140107103-A1 HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES HRH2, HRH1, HRH4 CYP1A2 166/4885MEN1 2902/4885KMT2A 2988/4885
US-20130237527-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4-INHIBITORS AND EP4-RECEPTOR-ANTAGONISTS PTGER4, PTGER1, PTGER3 CYP1A2 343/4885MEN1 3955/4885KMT2A 2847/4885
US-20120028932-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS PTGER4, PDE4A, PDE3B CYP1A2 73/4885MEN1 3961/4885KMT2A 3570/4885

“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.