SCHEMBL7657811

SCHEMBL7657811

O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 16/20 1.00
DRD2 P14416 14/20 1.00
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
ADRA1D P25100 1/20 1.00
ADRA1A P35348 1/20 1.00
ADRA1B P35368 1/20 1.00
ALDH1A1 P00352 1/20 0.69
LMNA P02545 1/20 0.69

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
SCHEMBL7662401 0.88 DRD4 (1.00) DRD4DRD2MEN1KMT2AADRA1D
SCHEMBL7652125 0.81 DRD4 (1.00) DRD4DRD2MEN1KMT2AADRA1D
SCHEMBL7657087 0.81 DRD4 (1.00) DRD4DRD2MEN1KMT2AADRA1D
SCHEMBL7686690 0.81 DRD4 (1.00) DRD4DRD2MEN1KMT2AADRA1D
SCHEMBL29488461 0.80 ALDH1A1 (0.77) DRD4DRD2MEN1KMT2AADRA1D
SCHEMBL29538698 0.78 ALDH1A1 (0.84) DRD4DRD2MEN1KMT2AADRA1D
SCHEMBL20957045 0.78 MAPK1 (0.63) DRD4DRD2MEN1KMT2AADRA1D
SCHEMBL7552763 0.77 DRD4 (1.00) DRD4DRD2MEN1KMT2AADRA1D
SCHEMBL30378970 0.77 DRD4 (0.63) DRD4DRD2MEN1KMT2AADRA1D
SCHEMBL26089698 0.77 DRD4 (0.63) DRD4DRD2MEN1KMT2AADRA1D

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-20020045626-A1 Benzylpiperazinyl and piperidinyl ethanone derivatives: dopamine receptor subtype specific ligands NEUROGEN CORPORATION 2002-04-18 US claimed
EP-1068193-A1 BENZYLPIPERAZINYL- AND BENZYLPIPERIDINYL ETHANONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINE D 4? RECEPTOR ANTAGONISTS NEUROGEN CORPORATION (US) 2001-01-17 EP claimed
US-6084098-A HIGH AFFINITY AND SELECTIVITY IN BINDING TO THE D4 RECEPTOR SUBTYPE; NEUROLEPTIC, DOPAMINERGIC AGENTS; SCHIZOPHRENIA, MANIA, COMPULSIVE BEHAVIOR, SUBSTANCE ABUSE; ANTIDEPRESSANTS; ANXIOLYTIC AGENTS; PARKINSONISM; TARDIVE DYSKINESIAS; CNS NEUROGEN CORPORATION (US) 2000-07-04 US claimed
WO-1999043670-A1 BENZYLPIPERAZINYL- AND BENZYLPIPERIDINYL ETHANONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINE D4 RECEPTOR ANTAGONISTS NEUROGEN CORPORATION (US) 1999-09-02 WO claimed
US-6444819-B1 NEUROLEPTIC AGENTS;D4 RECEPTOR ANTAGONIST;SIDE EFFECT REDUCTION;SCHIZOPHRENIA;DRUG ABUSE, DRUG DEPENDENCE; ANXIOLYTICS; ANTIDEPRESSANTS;COGNITION ACTIVATORS. NEUROGEN CORPORATION 2002-09-03 US disclosed
US-20020045626-A1 Benzylpiperazinyl and piperidinyl ethanone derivatives: dopamine receptor subtype specific ligands NEUROGEN CORPORATION 2002-04-18 US disclosed
EP-1068193-A1 BENZYLPIPERAZINYL- AND BENZYLPIPERIDINYL ETHANONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINE D 4? RECEPTOR ANTAGONISTS NEUROGEN CORPORATION (US) 2001-01-17 EP disclosed
US-6084098-A HIGH AFFINITY AND SELECTIVITY IN BINDING TO THE D4 RECEPTOR SUBTYPE; NEUROLEPTIC, DOPAMINERGIC AGENTS; SCHIZOPHRENIA, MANIA, COMPULSIVE BEHAVIOR, SUBSTANCE ABUSE; ANTIDEPRESSANTS; ANXIOLYTIC AGENTS; PARKINSONISM; TARDIVE DYSKINESIAS; CNS NEUROGEN CORPORATION (US) 2000-07-04 US disclosed
WO-1999043670-A1 BENZYLPIPERAZINYL- AND BENZYLPIPERIDINYL ETHANONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINE D4 RECEPTOR ANTAGONISTS NEUROGEN CORPORATION (US) 1999-09-02 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 (1 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-20020045626-A1 Benzylpiperazinyl and piperidinyl ethanone derivatives: dopamine receptor subtype specific ligands DRD2, DRD3, OPRD1 DRD4 4/4885DRD2 1/4885MEN1 4825/4885

“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.