SCHEMBL6069474

SCHEMBL6069474

CCCCCC1CCN(CC(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
S1PR1 P21453 1/20 0.43
GNAO1 P09471 3/20 0.43
GNAI3 P08754 2/20 0.43
GNAI1 P63096 2/20 0.43
MAPT P10636 1/20 0.43
CHRM1 P11229 3/20 0.42
CHRM2 P08172 2/20 0.42
CHRM4 P08173 2/20 0.42
CHRM5 P08912 2/20 0.42
DRD2 P14416 2/20 0.42
CHRM3 P20309 2/20 0.42
DRD4 P21917 2/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA1D P25100 1/20 0.42

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
SCHEMBL24754066 0.95 MAPT (0.47) PKMMEN1HTTKMT2AS1PR1
SCHEMBL18799668 0.81 ALOX5 (0.46) MEN1HTTKMT2AS1PR1MAPT
SCHEMBL7285155 0.80 ITGB3 (0.55) GNAO1GNAI3GNAI1ITGB3ITGA2B
SCHEMBL14609561 0.80 HSD17B10 (0.45) S1PR1ADRA1DADRA1AADRA1BGSK3B
SCHEMBL5337084 0.79 CHRM1 (0.48) PKMMEN1HTTKMT2AGNAO1
SCHEMBL27793328 0.79 GNAI3 (0.53) PKMMEN1HTTKMT2AGNAO1
SCHEMBL7359289 0.78 HSD17B10 (0.44) ITGB3ITGA2B
SCHEMBL8608071 0.78 HSD17B10 (0.44) HTTITGB3ITGA2B
SCHEMBL20540858 0.78 SLC18A3 (0.42) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL19578855 0.77 GNAO1 (0.50) PKMMEN1HTTKMT2AGNAO1

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-6987188-B2 3a,4,5,9b-tetrahydro-1H-benz[e]indol-2-yl amine-derived neuropeptideYreceptors ligands useful in the treatment of obesity and other disorders DAX SCOTT 2006-01-17 US disclosed
US-20050054709-A1 3a,4,5,9b-tetrahydro-1H-benz[e]indol-2-yl amine-derived neuropeptideYreceptors ligands useful in the treatment of obesity and other disorders DAX SCOTT (US) 2005-03-10 US disclosed
US-6841552-B1 3a,4,5,9b-tetrahydro-1H-benz[e]indol-2-yl amine-derived neuropeptide Y receptors ligands useful in the treatment of obesity and other disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-01-11 US disclosed
EP-1177172-A1 3a,4,5,9b-TETRAHYDRO-1H-BENZ e]INDOL-2-YL AMINE-DERIVED NEUROPEPTIDE Y RECEPTORS LIGANDS USEFUL IN THE TREATMENT OF OBESITY AND OTHER DISORDERS Ortho-McNeil Pharmaceutical, Inc. (US) 2002-02-06 EP disclosed
WO-2000068197-A1 3a,4,5,9b-TETRAHYDRO-1H-BENZ[e]INDOL-2-YL AMINE-DERIVED NEUROPEPTIDE Y RECEPTORS LIGANDS USEFUL IN THE TREATMENT OF OBESITY AND OTHER DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-11-16 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-20050054709-A1 3a,4,5,9b-tetrahydro-1H-benz[e]indol-2-yl amine-derived neuropeptideYreceptors ligands useful in the treatment of obesity and other disorders NPY1R, NPY4R, NPY2R PKM 2504/4885MEN1 2463/4885HTT 1558/4885

“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.