SCHEMBL3609605

SCHEMBL3609605

Clc1cccc(N2CCCNCC2)c1Cl

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 7/20 0.87
▸ DRD3 P35462 7/20 0.87
▸ ADRB1 P08588 4/20 0.87
▸ HTR1A P08908 4/20 0.58
▸ HTR3A P46098 3/20 0.58
▸ CYP1A2 P05177 2/20 0.58
▸ CYP2D6 P10635 2/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ HTR2A P28223 3/20 0.56
▸ DRD4 P21917 2/20 0.56
▸ HTR2C P28335 1/20 0.56
▸ HTR6 P50406 4/20 0.48
▸ HTR1D P28221 2/20 0.48
▸ HTR1B P28222 2/20 0.48
▸ HTR7 P34969 2/20 0.48
▸ HTR2B P41595 1/20 0.48
▸ HTR3E A5X5Y0 1/20 0.47
▸ HTR3B O95264 1/20 0.47
▸ NCF1 P14598 1/20 0.47

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 SCHEMBL253371 0.98 DRD2 (0.84) DRD2DRD3ADRB1HTR1AHTR3A
SCHEMBL8511 0.93 DRD2 (1.00) DRD2DRD3ADRB1HTR1AHTR3A
SCHEMBL29367982 0.93 DRD2 (1.00) DRD2DRD3ADRB1HTR1AHTR3A
SCHEMBL6352699 0.93 DRD2 (1.00) DRD2DRD3ADRB1HTR1AHTR3A
Piperazine SCHEMBL28251276 0.91 DRD2 (0.96) DRD2DRD3ADRB1HTR1AHTR3A
Bromide SCHEMBL981906 0.91 DRD2 (0.96) DRD2DRD3ADRB1HTR1AHTR3A
Hydrochloric Acid SCHEMBL29470848 0.91 DRD2 (0.96) DRD2DRD3ADRB1HTR1AHTR3A
Hydrochloric Acid SCHEMBL246338 0.91 DRD2 (0.96) DRD2DRD3ADRB1HTR1AHTR3A
Hydrochloric Acid SCHEMBL2217039 0.91 DRD2 (0.96) DRD2DRD3ADRB1HTR1AHTR3A
Piperazine SCHEMBL28169968 0.90 DRD2 (0.93) DRD2DRD3ADRB1HTR1AHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20100168125-A1 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS DONSBACH, MARTIN (DE) 2010-07-01 — — US disclosed
EP-2137185-A2 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS Gmeiner, Dr. Peter (DE) 2009-12-30 — — EP disclosed
WO-2008113559-A2 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS SCHWARZ PHARMA AG (DE) 2008-09-25 — — WO disclosed
EP-1972628-A1 Indolizines and aza-analog derivatives thereof as CNS active compounds SCHWARZ PHARMA AG (DE) 2008-09-24 — — 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-20100168125-A1 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS INMT, AANAT, AZI2 DRD2 123/4885DRD3 230/4885ADRB1 370/4885
US-20130137679-A1 Novel Functionally Selective Ligands of Dopamine D2 Receptors DRD2, AVPR2, NTSR2 DRD2 1/4885DRD3 12/4885ADRB1 52/4885

“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.

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