SCHEMBL318191

SCHEMBL318191

COc1ccc(OC)c(C2CCCC2CC#N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
GFER P55789 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 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
SCHEMBL10109118 1.00 MTNR1A (0.42) MTNR1AMTNR1BNOS3NOS1NOS2
SCHEMBL318220 0.82 MTNR1A (0.48) MTNR1AMTNR1BNOS3NOS1NOS2
SCHEMBL10109112 0.82 MTNR1A (0.48) MTNR1AMTNR1BNOS3NOS1NOS2
SCHEMBL10108958 0.80 HTR2C (0.48) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL316868 0.80 HTR2C (0.48) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL318067 0.79 MTNR1A (0.45) MTNR1AMTNR1BNOS3NOS1NOS2
SCHEMBL10109119 0.79 MTNR1A (0.45) MTNR1AMTNR1BNOS3NOS1NOS2
SCHEMBL319095 0.78 PTGDR2 (0.54) MTNR1AMTNR1BNOS3NOS1NOS2
SCHEMBL10109126 0.78 PTGDR2 (0.54) MTNR1AMTNR1BNOS3NOS1NOS2
SCHEMBL10109114 0.76 LMNA (0.43) MTNR1AMTNR1BNOS3NOS1NOS2

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-8093302-B2 Substituted tetralins as selective estrogen receptor-β agonists ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
US-20100249075-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2010-09-30 US disclosed
EP-1853578-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2007-11-14 EP disclosed
WO-2006088716-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2006-08-24 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-20100249075-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ESR2, ERLIN1, ESRRG MTNR1A 245/4885MTNR1B 212/4885NOS3 3463/4885

“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.