SCHEMBL3080032

SCHEMBL3080032

Clc1cccc(OC2CCNCC2)c1Cl

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.57
SLC6A4 P31645 11/20 0.57
HTR1A P08908 9/20 0.57
HRH1 P35367 3/20 0.54
SLC6A3 Q01959 11/20 0.54
KCNH2 Q12809 2/20 0.54
CYP2D6 P10635 2/20 0.48

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
Hydrochloric Acid SCHEMBL4095144 0.98 SLC6A2 (0.56) SLC6A2SLC6A4HTR1AHRH1SLC6A3
SCHEMBL5459289 0.90 SLC6A2 (0.59) SLC6A2SLC6A4HTR1ASLC6A3CYP2D6
Hydrochloric Acid SCHEMBL5482984 0.89 SLC6A2 (0.58) SLC6A2SLC6A4HTR1ASLC6A3CYP2D6
SCHEMBL82955 0.86 HRH1 (0.62) SLC6A2SLC6A4HTR1AHRH1SLC6A3
Hydrochloric Acid SCHEMBL69459 0.84 HRH1 (0.60) SLC6A2SLC6A4HTR1AHRH1SLC6A3
SCHEMBL22278045 0.83 SLC6A2 (0.63) SLC6A2SLC6A4HTR1AHRH1SLC6A3
SCHEMBL22278138 0.83 SLC6A2 (0.62) SLC6A2SLC6A4HTR1AHRH1SLC6A3
SCHEMBL14957210 0.82 SLC6A2 (0.64) SLC6A2SLC6A4HTR1ASLC6A3
Hydrochloric Acid SCHEMBL22265846 0.82 SLC6A2 (0.60) SLC6A2SLC6A4HTR1AHRH1SLC6A3
Hydrochloric Acid SCHEMBL22266112 0.82 SLC6A2 (0.61) SLC6A2SLC6A4HTR1AHRH1SLC6A3

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
US-20070021404-A1 Novel aza-ring derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2007-01-25 US claimed
WO-2021097240-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2021-05-20 WO disclosed
EP-2079693-B1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2013-02-27 EP disclosed
US-7795437-B2 Ether derivatives HOFFMANN-LA ROCHE INC. (US) 2010-09-14 US disclosed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed
EP-2079693-A1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. Hoffmann-Roche AG (CH) 2009-07-22 EP disclosed
EP-1996545-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME Boehringer Ingelheim International GmbH (DE) 2008-12-03 EP disclosed
WO-2008052899-A1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 WO disclosed
US-20080103174-A1 ETHER DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-05-01 US disclosed
US-7307090-B2 Piperidine derivatives useful as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2007-12-11 US disclosed
EP-1638939-A2 AZA-RING DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2006-03-29 EP disclosed
EP-1404667-B1 PIPERIDINE DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2006-03-08 EP disclosed
EP-1604982-A1 INTERMEDIATES FOR THE PREPARATION OF PIPERIDINE DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2005-12-14 EP disclosed
WO-2004113297-A9 AZA-RING DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH AS (DK) 2005-11-24 WO disclosed
US-20050171092-A1 Chemical compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2005-08-04 US disclosed
EP-1274701-B1 [1,4']-BIPIPERIDINE COMPOUNDS ASTRAZENECA AB (SE) 2005-06-29 EP disclosed
US-6903115-B2 Bipiperidine compounds ASTRAZENECA AB (SE) 2005-06-07 US disclosed
EP-1493743-A1 Substituted bipiperidine intermediates and derivatives thereof AstraZeneca AB (SE) 2005-01-05 EP disclosed
WO-2004113297-A2 AZA-RING DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2004-12-29 WO disclosed
US-6525070-B2 For therapy of chemokine (such as CCR3) or H1 mediated disease state ASTRAZENECA AB (SE) 2003-02-25 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 (3 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-20070021404-A1 Novel aza-ring derivatives and their use as monoamine neurotransmitter re-uptake inhibitors SLC18A2, SLC6A2, SLC18A3 SLC6A2 2/4885SLC6A4 5/4885HTR1A 67/4885
US-20050171092-A1 Chemical compounds CCR3, CCR1, CCR4 SLC6A2 4470/4885SLC6A4 3874/4885HTR1A 1383/4885
US-20080103174-A1 ETHER DERIVATIVES GABRE, BDNF, ADH1A SLC6A2 122/4885SLC6A4 366/4885HTR1A 451/4885

“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.