SCHEMBL588149

SCHEMBL588149

Clc1ccc(N2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 1.00
SIGMAR1 Q99720 3/20 0.76
L3MBTL1 Q9Y468 1/20 0.74
MAPT P10636 3/20 0.71
KDM4E B2RXH2 3/20 0.70
ALDH1A1 P00352 2/20 0.70
GAA P10253 1/20 0.69
HTR7 P34969 1/20 0.68
DRD2 P14416 1/20 0.68
DRD3 P35462 1/20 0.68
HTR2C P28335 1/20 0.68
KMT2A Q03164 1/20 0.65
LMNA P02545 1/20 0.65

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
SCHEMBL4649494 0.93 DRD4 (0.87) DRD4SIGMAR1L3MBTL1MAPTKDM4E
SCHEMBL6030916 0.91 MAPT (0.83) DRD4SIGMAR1L3MBTL1MAPTKDM4E
Hydrochloric Acid SCHEMBL6030550 0.89 MAPT (0.81) DRD4SIGMAR1L3MBTL1MAPTKDM4E
SCHEMBL6031812 0.89 DRD4 (1.00) DRD4SIGMAR1KDM4EALDH1A1HTR7
SCHEMBL15937826 0.88 DRD4 (0.78) DRD4SIGMAR1L3MBTL1MAPTKDM4E
SCHEMBL6794331 0.86 DRD4 (0.79) DRD4SIGMAR1L3MBTL1ALDH1A1GAA
SCHEMBL654308 0.84 DRD4 (0.77) DRD4SIGMAR1L3MBTL1MAPTKDM4E
SCHEMBL2876563 0.84 DRD4 (1.00) DRD4SIGMAR1GAAHTR7DRD2
SCHEMBL5548733 0.84 DRD4 (0.77) DRD4SIGMAR1L3MBTL1GAAHTR7
SCHEMBL7512967 0.84 DRD4 (0.77) DRD4SIGMAR1L3MBTL1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257544-B1 PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OR PREVENTION OF NEURONAL DAMAGE VERTEX PHARMA (US) 2012-07-25 EP disclosed
EP-1963296-B1 OPTICALLY ACTIVE CARBAMATES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS PHARMACEUTICAL INTERMEDIATES EGIS GYOGYSZERGYAR NYILVANOSAN MUKOEDOE RESZVENYTARSASAG (HU) 2012-02-15 EP disclosed
CN-101356162-A Optically active carbamates, process for preparation thereof and use thereof as pharmaceutical intermediates EGIS GYOGYSZERGYAR NYILVANOSAN (HU) 2009-01-28 CN disclosed
EP-1963296-A2 OPTICALLY ACTIVE CARBAMATES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS PHARMACEUTICAL INTERMEDIATES Egis Gyógyszergyár Nyilvánosan Múködö Részvénytársaság (HU) 2008-09-03 EP disclosed
EP-1963296-A2 OPTICALLY ACTIVE CARBAMATES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS PHARMACEUTICAL INTERMEDIATES Egis Gyógyszergyár Nyilvánosan Múködö Részvénytársaság (HU) 2008-09-03 EP disclosed
WO-2007066163-A3 OPTICALLY ACTIVE CARBAMATES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS PHARMACEUTICAL INTERMEDIATES EGIS GYOGYSZERGYAR NYRT (HU) 2007-08-02 WO disclosed
WO-2007066163-A2 OPTICALLY ACTIVE CARBAMATES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS PHARMACEUTICAL INTERMEDIATES Egis Gyógyszergyár Nyilvanosan Mukodo Reszvenytarsasag (HU) 2007-06-14 WO disclosed
WO-2007066163-A2 OPTICALLY ACTIVE CARBAMATES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS PHARMACEUTICAL INTERMEDIATES Egis Gyógyszergyár Nyilvanosan Mukodo Reszvenytarsasag (HU) 2007-06-14 WO disclosed
EP-1441728-A2 MODULATORS OF THE CHOLESTEROL BIOSYNTHETIC PATHWAY Vertex Pharmaceuticals Incorporated (US) 2004-08-04 EP disclosed
US-20040034019-A1 Piperazine and piperidine derivatives VERTEX PHARMACEUTICALS INCORPORATED 2004-02-19 US disclosed
US-20030191110-A1 Modulators of the cholesterol biosynthetic pathway VERTEX PHARMACEUTICALS, INCORPORATED 2003-10-09 US disclosed
WO-2003037338-A2 MODULATORS OF THE CHOLESTEROL BIOSYNTHETIC PATHWAY VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-05-08 WO disclosed
EP-1233955-A4 PROCESS FOR PREPARING PIPERAZINE-SUBSTITUTED ALIPHATIC CARBOXYLATES SALSBURY CHEMICALS INC (US) 2002-11-20 EP disclosed
EP-1233955-A1 PROCESS FOR PREPARING PIPERAZINE-SUBSTITUTED ALIPHATIC CARBOXYLATES Salsbury Chemicals, Inc. (US) 2002-08-28 EP disclosed
WO-2001032641-A1 PROCESS FOR PREPARING PIPERAZINE-SUBSTITUTED ALIPHATIC CARBOXYLATES SALSBURY CHEMICALS, INC. (US) 2001-05-10 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-20040034019-A1 Piperazine and piperidine derivatives GAP43, BDNF, NGF DRD4 455/4885SIGMAR1 2866/4885L3MBTL1 4374/4885
US-20030191110-A1 Modulators of the cholesterol biosynthetic pathway SREBF2, SREBF1, CYP46A1 DRD4 4640/4885SIGMAR1 3962/4885L3MBTL1 935/4885

“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.