SCHEMBL245508

SCHEMBL245508

Clc1cccc(C2CCNCC2)c1Cl

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.57
SLC6A4 P31645 8/20 0.57
SLC6A3 Q01959 7/20 0.57
HTR1A P08908 7/20 0.57
HTR2C P28335 8/20 0.53
HTR6 P50406 2/20 0.47
ADRB1 P08588 1/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
SLC18A3 Q16572 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
KCNH2 Q12809 1/20 0.43

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
SCHEMBL1822134 0.89 HTR3A (0.49) SLC6A2SLC6A4SLC6A3HTR1AHTR2C
SCHEMBL1273995 0.86 HTR2A (0.48) SLC6A2SLC6A4SLC6A3HTR1AHTR2C
SCHEMBL3962252 0.84 HTR2C (0.60) SLC6A2SLC6A4SLC6A3HTR1AHTR2C
Hydrochloric Acid SCHEMBL1765134 0.82 HTR2C (0.61) SLC6A2SLC6A4SLC6A3HTR1AHTR2C
Hydrochloric Acid SCHEMBL30952434 0.82 HTR2C (0.61) SLC6A2SLC6A4SLC6A3HTR1AHTR2C
SCHEMBL28247586 0.82 HTR2A (0.46) SLC6A2SLC6A4SLC6A3HTR1AHTR2C
SCHEMBL24120164 0.81 HTR2C (0.69) SLC6A2SLC6A4SLC6A3HTR1AHTR2C
SCHEMBL17229875 0.81 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3HTR1AHTR2C
SCHEMBL30896675 0.81 HTR2C (0.50) SLC6A2SLC6A4SLC6A3HTR1AHTR2C
SCHEMBL26374821 0.81 HTR2C (0.69) SLC6A2SLC6A4SLC6A3HTR1AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2020-11-12 US disclosed
WO-2019115586-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2019-06-20 WO disclosed
EP-2864331-B1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 BRISTOL MYERS SQUIBB CO (US) 2017-08-09 EP disclosed
US-9682980-B2 Positive allosteric modulators of mGluR2 BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-20 US disclosed
US-9156822-B2 Functionally selective ligands of dopamine D2 receptors THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2015-10-13 US disclosed
US-9156822-B2 Functionally selective ligands of dopamine D2 receptors THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2015-10-13 US disclosed
US-20150152113-A1 Positive Allosteric Modulators of MGLUR2 BRISTOL-MYERS SQUIBB COMPANY 2015-06-04 US disclosed
EP-2864331-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 Bristol-Myers Squibb Company (US) 2015-04-29 EP disclosed
WO-2013192306-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-27 WO disclosed
US-20130137679-A1 Novel Functionally Selective Ligands of Dopamine D2 Receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-05-30 US disclosed
EP-1768958-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2007-04-04 EP disclosed
EP-1765779-A1 NEW SUBSTITUTED PIPERIDINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2007-03-28 EP disclosed
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
WO-2005121088-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2005-12-22 WO disclosed
WO-2005121092-A1 NEW SUBSTITUTED PIPERIDINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2005-12-22 WO disclosed
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 EP disclosed
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 US disclosed
US-6720320-B2 ANTISEROTONINE AGENTS MITSUBISHI PHARMA CORPORATION (JP) 2004-04-13 US disclosed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US disclosed
EP-1188747-A1 PHENOXYPROPYLAMINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2002-03-20 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 (5 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-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT SLC6A2 1396/4885SLC6A4 876/4885SLC6A3 1605/4885
US-20040138227-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A SLC6A2 21/4885SLC6A4 10/4885SLC6A3 23/4885
US-20130137679-A1 Novel Functionally Selective Ligands of Dopamine D2 Receptors DRD2, AVPR2, NTSR2 SLC6A2 49/4885SLC6A4 210/4885SLC6A3 8/4885
US-20150152113-A1 Positive Allosteric Modulators of MGLUR2 GRM2, GRM1, GRIN2A SLC6A2 355/4885SLC6A4 426/4885SLC6A3 274/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A SLC6A2 21/4885SLC6A4 10/4885SLC6A3 23/4885

“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.