SCHEMBL7654394

SCHEMBL7654394

CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 19/20 1.00
DRD4 P21917 19/20 1.00
ADRA1D P25100 2/20 0.83
ADRA1A P35348 2/20 0.83
ADRA1B P35368 2/20 0.83
SLC6A4 P31645 1/20 0.83
MEN1 O00255 1/20 0.81
KMT2A Q03164 1/20 0.81

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
SCHEMBL12676326 0.92 MEN1 (0.95) DRD2DRD4ADRA1DADRA1AADRA1B
SCHEMBL7665453 0.91 DRD2 (1.00) DRD2DRD4ADRA1DADRA1AADRA1B
SCHEMBL7552536 0.88 DRD4 (1.00) DRD2DRD4ADRA1DADRA1AADRA1B
SCHEMBL7552038 0.86 DRD4 (0.79) DRD2DRD4ADRA1DADRA1AADRA1B
SCHEMBL7552007 0.86 DRD4 (0.79) DRD2DRD4
SCHEMBL7659719 0.86 DRD4 (1.00) DRD2DRD4
SCHEMBL7550226 0.85 DRD4 (1.00) DRD2DRD4ADRA1DADRA1AADRA1B
SCHEMBL7552721 0.85 DRD4 (1.00) DRD2DRD4ADRA1DADRA1AADRA1B
SCHEMBL7556008 0.84 DRD4 (1.00) DRD2DRD4ADRA1DADRA1AADRA1B
SCHEMBL7658807 0.83 DRD2 (1.00) DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 DRD2 1/4885DRD4 4/4885ADRA1D 96/4885

“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.