SCHEMBL6030554

SCHEMBL6030554

COc1ccc(N2CCN(Cc3ccc(C)cc3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.62
GFER P55789 2/20 0.61
ALDH1A1 P00352 3/20 0.61
PKM P14618 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
MAPT P10636 2/20 0.59
TP53 P04637 2/20 0.59
DRD2 P14416 1/20 0.59
POLB P06746 1/20 0.59
DRD4 P21917 1/20 0.57
KDM4E B2RXH2 2/20 0.57
ADRA1D P25100 1/20 0.56
ADRA1A P35348 1/20 0.56
ADRA1B P35368 1/20 0.56
HTT P42858 1/20 0.56
TDP1 Q9NUW8 1/20 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
Bromide SCHEMBL6579961 0.98 SIGMAR1 (0.60) SIGMAR1GFERALDH1A1PKMSMN1; SMN2
SCHEMBL6029911 0.89 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AMAPTDRD2
SCHEMBL6030381 0.88 ALDH1A1 (0.72) SIGMAR1ALDH1A1PKMSMN1; SMN2MEN1
SCHEMBL28313258 0.87 MAPT (0.68) SIGMAR1ALDH1A1PKMSMN1; SMN2MEN1
SCHEMBL11549500 0.87 SIGMAR1 (0.60) SIGMAR1GFERALDH1A1PKMSMN1; SMN2
SCHEMBL5542069 0.87 DRD4 (0.66) SIGMAR1ALDH1A1PKMSMN1; SMN2KMT2A
Bromide SCHEMBL6578060 0.87 ALDH1A1 (0.71) SIGMAR1ALDH1A1PKMSMN1; SMN2MEN1
SCHEMBL5542061 0.87 SIGMAR1 (0.60) SIGMAR1ALDH1A1PKMSMN1; SMN2MEN1
SCHEMBL11923385 0.86 SIGMAR1 (0.79) SIGMAR1ALDH1A1PKMSMN1; SMN2KMT2A
SCHEMBL14362730 0.85 HTR3E (0.63) SIGMAR1GFERALDH1A1SMN1; SMN2MEN1

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 10 patents. 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-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
US-5859246-A TREATING NEUROPSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION (US) 1999-01-12 US 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 SIGMAR1 96/4885GFER 3321/4885ALDH1A1 567/4885
US-20020007064-A1 1-Phenyl-4-benzylpiperazines dopamine receptor subtype specific ligands HTR2C, GRIN2C, HTR1A SIGMAR1 91/4885GFER 3953/4885ALDH1A1 422/4885
US-20030119851-A1 1-phenyl-4-benzylpiperazines dopamine receptor subtype specific ligands HTR2C, GRIN2C, HTR1A SIGMAR1 91/4885GFER 3953/4885ALDH1A1 422/4885

“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.