SCHEMBL6418686

SCHEMBL6418686

Clc1ccc(CN2CCN(c3cccc4ccccc34)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.64
SIGMAR1 Q99720 2/20 0.58
DRD4 P21917 5/20 0.58
DRD2 P14416 5/20 0.58
DRD3 P35462 3/20 0.58
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HTR2A P28223 3/20 0.52
DRD1 P21728 2/20 0.52
HTR2C P28335 2/20 0.52
HTR3A P46098 2/20 0.52
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
NCF1 P14598 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL6194016 0.89 HTR1A (0.64) HTR1ASIGMAR1DRD4DRD2DRD3
SCHEMBL6029899 0.83 SIGMAR1 (0.68) SIGMAR1DRD4DRD2DRD3MEN1
SCHEMBL12341401 0.79 HDAC1 (0.66) HTR1ADRD2DRD3HTR2AHTR2C
SCHEMBL6030972 0.79 ATM (0.62) SIGMAR1DRD4DRD2DRD3MEN1
SCHEMBL9643856 0.79 HTR1A (0.74) HTR1ASIGMAR1DRD4DRD2DRD3
SCHEMBL12341439 0.79 HTR1A (0.56) HTR1ADRD4DRD2DRD3HTR2A
SCHEMBL8134359 0.78 MEN1 (0.58) HTR1ASIGMAR1DRD4MEN1KMT2A
SCHEMBL10514079 0.78 HTR1A (0.68) HTR1ADRD2
SCHEMBL8168486 0.78 SIGMAR1 (0.65) SIGMAR1DRD4DRD2DRD3MEN1
SCHEMBL9287528 0.77 HTR1A (0.55) HTR1ASIGMAR1DRD4DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 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-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

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 HTR1A 6/4885SIGMAR1 96/4885DRD4 2/4885
US-20020007064-A1 1-Phenyl-4-benzylpiperazines dopamine receptor subtype specific ligands HTR2C, GRIN2C, HTR1A HTR1A 3/4885SIGMAR1 91/4885DRD4 4/4885
US-20030119851-A1 1-phenyl-4-benzylpiperazines dopamine receptor subtype specific ligands HTR2C, GRIN2C, HTR1A HTR1A 3/4885SIGMAR1 91/4885DRD4 4/4885

“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.