SCHEMBL7558440

SCHEMBL7558440

CCCCCC1CCN(CCCN)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 9/20 0.55
GNAI3 P08754 8/20 0.51
GNAI1 P63096 8/20 0.51
CHRM1 P11229 4/20 0.46
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
CHRM5 P08912 2/20 0.46
DRD2 P14416 2/20 0.46
CHRM3 P20309 2/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
KCNH2 Q12809 1/20 0.45
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
ADRA1B P35368 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
SCHEMBL20374733 0.91 GNAO1 (0.60) GNAO1GNAI3GNAI1CHRM1CHRM2
SCHEMBL25121970 0.87 GNAO1 (0.70) GNAO1GNAI3GNAI1CHRM1CHRM2
SCHEMBL25654123 0.87 GNAO1 (0.65) GNAO1GNAI3GNAI1CHRM1CHRM2
SCHEMBL11205736 0.87 KEAP1 (0.48) GNAO1GNAI3GNAI1CHRM1HRH3
SCHEMBL17424057 0.87 KEAP1 (0.48) GNAO1GNAI3GNAI1CHRM1HRH3
SCHEMBL598617 0.85 GNAO1 (0.58) GNAO1GNAI3GNAI1CHRM1CHRM2
SCHEMBL6059146 0.85 GNAO1 (0.54) GNAO1GNAI3GNAI1CHRM1CHRM2
SCHEMBL17424035 0.85 GNAO1 (0.67) GNAO1GNAI3GNAI1CHRM1CHRM2
SCHEMBL26374152 0.85 GNAO1 (0.57) GNAO1GNAI3GNAI1CHRM1CHRM2
SCHEMBL25444591 0.83 GNAO1 (0.70) GNAO1GNAI3GNAI1CHRM1CHRM2

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-20020010186-A1 Dihydropyrimidines and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2002-01-24 US disclosed
US-6339090-B1 FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2002-01-15 US disclosed
US-6245773-B1 BENIGN PROSTATIC HYPERPLAMIA; REDUCTION OF INTRAOCULAR PRESSURE SYNAPTIC PHARMACEUTICAL CORPORATION 2001-06-12 US disclosed
WO-2000006565-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-02-10 WO disclosed
WO-1998051311-A2 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-11-19 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 GNAO1 622/4885GNAI3 1102/4885GNAI1 533/4885

“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.