SCHEMBL4308696

SCHEMBL4308696

Clc1ccc(CC2CCNC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.52
HTR3A P46098 1/20 0.50
ALDH1A1 P00352 1/20 0.45
HRH4 Q9H3N8 3/20 0.44
HRH3 Q9Y5N1 3/20 0.44
KCNH2 Q12809 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
Oxalic Acid SCHEMBL1760844 0.91 GBA1 (0.47) GBA1HTR3AALDH1A1
SCHEMBL13576643 0.89 KCNH2 (0.53) HTR3AALDH1A1HRH4HRH3KCNH2
SCHEMBL13576618 0.89 KCNH2 (0.53) HTR3AALDH1A1HRH4HRH3KCNH2
SCHEMBL894700 0.89 GBA1 (0.66) GBA1HTR3AALDH1A1HRH4HRH3
Hydrochloric Acid SCHEMBL6968488 0.87 GBA1 (0.63) GBA1HTR3AALDH1A1KCNH2SLC6A2
SCHEMBL3914733 0.84 SLC6A4 (0.50) ALDH1A1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL29090963 0.82 SLC6A4 (0.49) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL1814200 0.81 GBA1 (0.52) GBA1HRH4HRH3KCNH2SLC6A2
SCHEMBL1994022 0.81 GBA1 (0.52) GBA1HRH4HRH3SLC6A2SLC6A4
SCHEMBL1811296 0.81 GBA1 (0.52) GBA1HRH4HRH3KCNH2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102695546-B Heterocylcic derivatives as inhibitors of glutaminyl cyclase PROBIODRUG AG 2014-09-10 CN disclosed
EP-1879873-B1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK BIOPHARMACEUTICALS CO LTD (KR) 2013-10-09 EP disclosed
CN-101228138-B Neurotherapeutic azole compounds SK HOLDINGS CO LTD 2012-11-21 CN disclosed
US-7598279-B2 Neurotherapeutic azole compounds SK HOLDINGS CO., LTD. (KR) 2009-10-06 US disclosed
CN-101228138-A Neurotherapeutic azole compounds SK HOLDINGS CO LTD (KR) 2008-07-23 CN disclosed
EP-1879873-A1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK Holdings Co., Ltd. (KR) 2008-01-23 EP disclosed
US-20060258718-A1 Neurotherapeutic azole compounds SK BIOPHARMACEUTICALS CO., LTD. (KR) 2006-11-16 US disclosed
WO-2006112685-A1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK HOLDINGS CO., LTD. (KR) 2006-10-26 WO disclosed
CN-1229343-C Novel compounds ASTRAZENECA AB (SE) 2005-11-30 CN disclosed
US-6951874-B2 Compounds ASTRAZENECA AB (SE) 2005-10-04 US disclosed
US-20030144267-A1 Novel compounds ASTRAZENECA AB (SE) 2003-07-31 US disclosed
CN-1426412-A Novel compounds ASTRAZENECA AB (SE) 2003-06-25 CN disclosed
CN-1426393-A Novel compounds ASTRAZENECA AB (SE) 2003-06-25 CN disclosed
CN-1426394-A Novel compounds ASTRAZENECA AB (SE) 2003-06-25 CN disclosed
EP-1263725-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP disclosed
EP-1263724-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP disclosed
EP-1263760-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2001062757-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 WO disclosed
WO-2001062728-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 WO disclosed
WO-2001062729-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 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 (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-20060258718-A1 Neurotherapeutic azole compounds CHRNA10, CHRNA4, CHRNA3 GBA1 993/4885HTR3A 446/4885ALDH1A1 1039/4885
US-20030144267-A1 Novel compounds RPS4X, RPS4Y1, UGT2B7 GBA1 926/4885HTR3A 2557/4885ALDH1A1 1466/4885

“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.