SCHEMBL7686692

SCHEMBL7686692

O=C(CC1Cc2ccccc2N1)N1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 13/20 0.53
DRD2 P14416 11/20 0.53
MC4R P32245 4/20 0.51
POLB P06746 2/20 0.49
FAAH O00519 1/20 0.47
MEN1 O00255 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL20651289 0.76 CACNA2D1 (0.41) MC4RMEN1KMT2A
SCHEMBL7664498 0.73 DRD4 (0.53) DRD4DRD2MEN1ADRA1DADRA1A
SCHEMBL10502128 0.72 POLB (0.70) DRD4POLBFAAHKMT2ALMNA
SCHEMBL13149275 0.72 ALDH1A1 (0.77) POLBFAAHMEN1KMT2ALMNA
SCHEMBL7369921 0.71 ALDH1A1 (0.73) DRD4POLBFAAHKMT2ALMNA
SCHEMBL18707926 0.71 GAA (0.51) MC4R
Hydrochloric Acid SCHEMBL10502730 0.70 POLB (0.67) DRD4POLBFAAHKMT2ALMNA
SCHEMBL5152873 0.69 GAA (0.57) MC4R
SCHEMBL7686690 0.69 DRD4 (1.00) DRD4DRD2POLBMEN1ADRA1D
SCHEMBL8187174 0.69 DRD2 (0.71) DRD4DRD2ADRA1DADRA1AADRA1B

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 4 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

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 1/4885MC4R 479/4885

“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.