SCHEMBL6198575

SCHEMBL6198575

CC(C)(C)OC(=O)NCCCN1CCC(c2ccccc2)(c2ccco2)CC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.55
ADRA1A P35348 4/20 0.54
SIGMAR1 Q99720 3/20 0.50
ADRA2A P08913 3/20 0.45
ADRA2B P18089 3/20 0.45
ADRA2C P18825 3/20 0.45
ADRA1D P25100 3/20 0.45
ADRA1B P35368 3/20 0.45
OPRL1 P41146 1/20 0.43

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
SCHEMBL7566269 0.81 DRD2 (0.63) DRD2ADRA1ASIGMAR1ADRA1DADRA1B
SCHEMBL7524346 0.80 ADRA1A (0.57) DRD2ADRA1ASIGMAR1ADRA2AADRA2B
SCHEMBL6197779 0.80 DRD2 (0.55) DRD2ADRA1ASIGMAR1ADRA2AADRA2B
SCHEMBL7677837 0.78 DRD2 (0.59) DRD2ADRA1ASIGMAR1OPRL1
SCHEMBL7966084 0.78 ADRA1D (0.66) DRD2ADRA1ASIGMAR1ADRA1DADRA1B
SCHEMBL7681665 0.78 DRD2 (0.56) DRD2ADRA1ASIGMAR1ADRA1DADRA1B
SCHEMBL6215791 0.77 DRD2 (0.58) DRD2ADRA1ASIGMAR1ADRA2AADRA2B
SCHEMBL6216974 0.77 DRD2 (0.57) DRD2ADRA1ASIGMAR1ADRA2AADRA2B
SCHEMBL7234672 0.76 DRD2 (0.59) DRD2ADRA1ASIGMAR1ADRA1DADRA1B
SCHEMBL7079236 0.76 DRD2 (0.57) DRD2ADRA1ASIGMAR1ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021185-A4 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2005-09-07 EP disclosed
US-20020010186-A1 Dihydropyrimidines and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2002-01-24 US disclosed
US-6245773-B1 BENIGN PROSTATIC HYPERPLAMIA; REDUCTION OF INTRAOCULAR PRESSURE SYNAPTIC PHARMACEUTICAL CORPORATION 2001-06-12 US disclosed
EP-1021185-A1 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-07-26 EP disclosed
WO-1998051311-A2 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-11-19 WO disclosed
WO-1997042956-A1 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-11-20 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-20020010186-A1 Dihydropyrimidines and uses thereof QDPR, DPYD, ADRA1D DRD2 1498/4885ADRA1A 4/4885SIGMAR1 534/4885

“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.