SCHEMBL4649494

SCHEMBL4649494

Clc1ccc(CN2CCN(c3ccccc3)CC2)cc1

nearest known ligand 0.87

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.87
SIGMAR1 Q99720 1/20 0.76
MAPT P10636 3/20 0.71
L3MBTL1 Q9Y468 1/20 0.69
DRD2 P14416 1/20 0.68
DRD3 P35462 1/20 0.68
HTR2C P28335 1/20 0.68
KDM4E B2RXH2 5/20 0.64
ALDH1A1 P00352 5/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
GAA P10253 1/20 0.64
CACNA1G O43497 1/20 0.64
HTT P42858 1/20 0.63
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61

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
SCHEMBL588149 0.93 DRD4 (1.00) DRD4SIGMAR1MAPTL3MBTL1DRD2
SCHEMBL6030916 0.91 MAPT (0.83) DRD4SIGMAR1MAPTL3MBTL1DRD2
Hydrochloric Acid SCHEMBL6030550 0.89 MAPT (0.81) DRD4SIGMAR1MAPTL3MBTL1DRD2
SCHEMBL6031812 0.89 DRD4 (1.00) DRD4SIGMAR1DRD2DRD3KDM4E
SCHEMBL12861757 0.86 DRD4 (0.79) DRD4SIGMAR1DRD2DRD3KDM4E
SCHEMBL22532699 0.86 DRD4 (0.79) DRD4SIGMAR1L3MBTL1DRD2DRD3
SCHEMBL6030721 0.85 KDM4E (0.72) DRD4SIGMAR1MAPTKDM4EALDH1A1
SCHEMBL7604485 0.84 DRD4 (0.77) DRD4SIGMAR1MAPTDRD2DRD3
SCHEMBL3242187 0.84 DRD4 (0.77) DRD4SIGMAR1DRD2DRD3HTR2C
SCHEMBL3242189 0.84 DRD4 (0.77) DRD4SIGMAR1DRD2DRD3HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7101887-B2 1-phenyl-4-benzylpiperazines dopamine receptor subtype specific ligands NEUROGEN CORPORATION (US) 2006-09-05 US claimed
US-20050239799-A1 1-phenyl-4-benzylpiperazines dopamine receptor subtype NEUROGEN CORPORATION (US) 2005-10-27 US claimed
EP-0960106-B1 1-PHENYL-4-BENZYLPIPERAZINES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS (D4) NEUROGEN CORP (US) 2004-05-06 EP claimed
US-20040083447-A1 1-Phenyl-4-benzylpiperazines dopamine receptor subtype specific ligands NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE 2004-04-29 US claimed
US-20030119851-A1 1-phenyl-4-benzylpiperazines dopamine receptor subtype specific ligands NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE 2003-06-26 US claimed
US-6426347-B2 FOR PREVENTION OF PSYCHOTIC DISORDERS SUCH AS SCHIZOPHRENIA AND OTHER CENTRAL NERVOUS SYSTEM DISEASES NEUROGEN CORPORATION 2002-07-30 US claimed
US-20020007064-A1 1-Phenyl-4-benzylpiperazines dopamine receptor subtype specific ligands THURKAUF ANDREW (US) 2002-01-17 US claimed
JP-2001521492-A 2001-11-06 JP claimed
EP-0960106-A1 1-PHENYL-4-BENZYLPIPERAZINES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS (D4) NEUROGEN CORPORATION (US) 1999-12-01 EP claimed
WO-1998033784-A1 1-PHENYL-4-BENZYLPIPERAZINES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS (D4) NEUROGEN CORPORATION (US) 1998-08-06 WO claimed
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-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
US-7101887-B2 1-phenyl-4-benzylpiperazines dopamine receptor subtype specific ligands NEUROGEN CORPORATION (US) 2006-09-05 US disclosed
US-20050239799-A1 1-phenyl-4-benzylpiperazines dopamine receptor subtype NEUROGEN CORPORATION (US) 2005-10-27 US disclosed
EP-0960106-B1 1-PHENYL-4-BENZYLPIPERAZINES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS (D4) NEUROGEN CORP (US) 2004-05-06 EP disclosed
US-6656943-B2 In the treatment or prevention of psychotic disorders such as schizophrenia psychotic depression, mania and other central nervous system diseases NEUROGEN CORPORATION 2003-12-02 US disclosed
US-6172229-B1 PSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION 2001-01-09 US disclosed
EP-0960106-A1 1-PHENYL-4-BENZYLPIPERAZINES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS (D4) NEUROGEN CORPORATION (US) 1999-12-01 EP disclosed
US-5859246-A TREATING NEUROPSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION (US) 1999-01-12 US disclosed
WO-1998033784-A1 1-PHENYL-4-BENZYLPIPERAZINES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS (D4) NEUROGEN CORPORATION (US) 1998-08-06 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 (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-20050239799-A1 1-phenyl-4-benzylpiperazines dopamine receptor subtype DRD2, DRD4, HTR2C DRD4 2/4885SIGMAR1 96/4885MAPT 1859/4885
US-20020007064-A1 1-Phenyl-4-benzylpiperazines dopamine receptor subtype specific ligands HTR2C, GRIN2C, HTR1A DRD4 4/4885SIGMAR1 91/4885MAPT 2147/4885
US-20030119851-A1 1-phenyl-4-benzylpiperazines dopamine receptor subtype specific ligands HTR2C, GRIN2C, HTR1A DRD4 4/4885SIGMAR1 91/4885MAPT 2147/4885

“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.