SCHEMBL6198181

SCHEMBL6198181

CC(C)(C)OC(=O)Oc1ccc2c(c1)CCC(CN1CCN(c3cccc4[nH]ccc34)CC1)N2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.43
▸ GOT1 P17174 10/20 0.41
▸ GAA P10253 5/20 0.40
▸ DRD3 P35462 2/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ RECQL P46063 1/20 0.37

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
SCHEMBL6192926 0.86 HTR1A (0.51) DRD2GOT1GAADRD3DRD4
SCHEMBL6193666 0.83 GOT1 (0.49) DRD2GOT1GAADRD3DRD4
SCHEMBL6613539 0.81 GAA (0.55) DRD2GOT1GAADRD3DRD4
SCHEMBL7056003 0.81 DRD2 (0.39) DRD2GOT1GAADRD3DRD4
SCHEMBL7056005 0.80 GOT1 (0.37) DRD2GOT1GAADRD3ADRA1A
SCHEMBL6194133 0.79 HTR1A (0.51) DRD2GOT1GAADRD3DRD4
SCHEMBL6194475 0.79 DRD2 (0.54) DRD2GOT1GAADRD3DRD4
SCHEMBL6194004 0.79 GOT1 (0.47) DRD2GOT1GAADRD3DRD4
SCHEMBL6195266 0.76 HTR1A (0.51) DRD2GOT1GAADRD3DRD4
SCHEMBL6195534 0.74 GAA (0.45) DRD2GOT1GAADRD3DRD4

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
EP-1432701-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI IRELAND LTD (IE) 2005-12-21 — — EP disclosed
EP-1432701-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 2004-06-30 — — EP disclosed
US-20030181446-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-09-25 — — US disclosed
US-20030162777-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-08-28 — — US disclosed
WO-2003031436-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. (CH) 2003-04-17 — — 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 (2 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-20030162777-A1 Novel N-acylated heterocycles HTR1A, HTR1D, HTR1E DRD2 163/4885GOT1 2108/4885GAA 4060/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C DRD2 85/4885GOT1 1499/4885GAA 3749/4885

“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.

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