SCHEMBL6029911

SCHEMBL6029911

Cc1ccc(CN2CCN(c3ccc(C)cc3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
LMNA P02545 1/20 0.67
POLB P06746 1/20 0.67
DRD4 P21917 7/20 0.61
MAPT P10636 3/20 0.60
KDM4E B2RXH2 1/20 0.60
DRD2 P14416 4/20 0.59
CHKA P35790 1/20 0.59
NPSR1 Q6W5P4 1/20 0.58
HTR7 P34969 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ADRA1D P25100 1/20 0.56
ADRA1A P35348 1/20 0.56
ADRA1B P35368 1/20 0.56
DRD3 P35462 2/20 0.56

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
SCHEMBL6031671 0.93 MAPT (0.71) ALDH1A1LMNAPOLBDRD4MAPT
SCHEMBL6031775 0.93 MAPT (0.71) ALDH1A1LMNAPOLBDRD4MAPT
SCHEMBL5535565 0.92 ALDH1A1 (0.57) ALDH1A1LMNAPOLBDRD4MAPT
SCHEMBL5535567 0.92 DRD4 (0.71) ALDH1A1LMNAPOLBDRD4MAPT
SCHEMBL18177894 0.92 MAPT (0.74) ALDH1A1LMNAPOLBDRD4MAPT
SCHEMBL11551766 0.92 MAPT (0.60) ALDH1A1LMNAPOLBDRD4MAPT
Bromide SCHEMBL6031230 0.92 MAPT (0.69) ALDH1A1LMNAPOLBDRD4MAPT
SCHEMBL27396194 0.92 MAPT (0.57) ALDH1A1LMNAPOLBDRD4MAPT
SCHEMBL7604485 0.91 DRD4 (0.77) ALDH1A1LMNAPOLBDRD4MAPT
SCHEMBL12385909 0.91 DRD4 (0.77) ALDH1A1LMNAPOLBDRD4MAPT

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 24 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
US-20160366909-A1 OLIGOSACCHARIDE COMPOSITIONS FOR USE AS ANIMAL FEED AND METHODS OF PRODUCING THEREOF MIDORI USA, INC. (US) 2016-12-22 US disclosed
US-20160032038-A1 POLYMERIC IONIC SALT CATALYSTS AND METHODS OF PRODUCING THEREOF MIDORI USA, INC. (US) 2016-02-04 US disclosed
US-9238845-B2 Methods of producing sugars from biomass feedstocks MIDORI USA, INC. (US) 2016-01-19 US disclosed
US-20150202607-A1 POLYMERIC AND SOLID-SUPPORTED CATALYSTS, AND METHODS OF DIGESTING CELLULOSIC MATERIALS USING SUCH CATALYSTS Midori Renewables, Inc. (US) 2015-07-23 US disclosed
US-20140060522-A1 METHODS OF PRODUCING SUGARS FROM BIOMASS FEEDSTOCKS HERCULES CAPITAL, INC. 2014-03-06 US 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 (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-20050239799-A1 1-phenyl-4-benzylpiperazines dopamine receptor subtype DRD2, DRD4, HTR2C ALDH1A1 567/4885LMNA 3652/4885POLB 2635/4885
US-20020007064-A1 1-Phenyl-4-benzylpiperazines dopamine receptor subtype specific ligands HTR2C, GRIN2C, HTR1A ALDH1A1 422/4885LMNA 3853/4885POLB 2593/4885
US-20030119851-A1 1-phenyl-4-benzylpiperazines dopamine receptor subtype specific ligands HTR2C, GRIN2C, HTR1A ALDH1A1 422/4885LMNA 3853/4885POLB 2593/4885
US-20160366909-A1 OLIGOSACCHARIDE COMPOSITIONS FOR USE AS ANIMAL FEED AND METHODS OF PRODUCING THEREOF FUT5, FUT6, OSTC ALDH1A1 3518/4885LMNA 3367/4885POLB 3916/4885
US-20150202607-A1 POLYMERIC AND SOLID-SUPPORTED CATALYSTS, AND METHODS OF DIGESTING CELLULOSIC MATERIALS USING SUCH CATALYSTS MGAM, CEL, SI ALDH1A1 2291/4885LMNA 2985/4885POLB 1504/4885

“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.