SCHEMBL7555293

SCHEMBL7555293

CC(C)c1ccc(CN2CCN(CC(=O)N3CC(C)c4ccccc43)CC2)cc1

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 17/20 0.82
DRD2 P14416 16/20 0.82
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 1/20 0.51
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
KMT2A Q03164 1/20 0.51
FAAH O00519 1/20 0.48
NOTUM Q6P988 1/20 0.48

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
SCHEMBL7552763 0.90 DRD4 (1.00) DRD4DRD2MEN1ADRA1DADRA1A
SCHEMBL7553491 0.88 DRD2 (0.83) DRD4DRD2MEN1ADRA1DADRA1A
SCHEMBL7551427 0.88 DRD2 (0.83) DRD4DRD2SMN1; SMN2MEN1ADRA1D
SCHEMBL7558681 0.87 DRD4 (0.81) DRD4DRD2MEN1ADRA1DADRA1A
SCHEMBL7555333 0.85 DRD2 (0.78) DRD4DRD2HTTMEN1ADRA1D
SCHEMBL7555846 0.84 DRD2 (0.77) DRD4DRD2MEN1ADRA1DADRA1A
SCHEMBL8208943 0.77 DRD2 (0.65) DRD4DRD2NOTUM
SCHEMBL7557175 0.74 DRD2 (0.81) DRD4DRD2MEN1ADRA1DADRA1A
SCHEMBL23551256 0.74 ALDH1A1 (0.67) DRD4DRD2ALDH1A1HTTSMN1; SMN2
SCHEMBL18291967 0.73 ALDH1A1 (0.65) DRD4DRD2ALDH1A1HTTSMN1; SMN2

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-20020128274-A1 Benzylpiperazinyl-indolinylethanones NEUROGEN CORPORATION. 2002-09-12 US claimed
WO-2000076967-A1 BENZYLPIPERAZINYL-INDOLINYLETHANONES NEUROGEN CORPORATION (US) 2000-12-21 WO claimed
US-20020128274-A1 Benzylpiperazinyl-indolinylethanones NEUROGEN CORPORATION. 2002-09-12 US disclosed
US-6355644-B1 NERVOUS SYSTEM DISORDERS AND TREATMENT OF SCHIZOPHRENIA AND BIPOLAR DISORDER NEUROGEN CORPORATION 2002-03-12 US 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-20020128274-A1 Benzylpiperazinyl-indolinylethanones GABRP, GABBR1, GABARAP DRD4 57/4885DRD2 30/4885ALDH1A1 445/4885

“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.