SCHEMBL170826

SCHEMBL170826

COc1ccccc1CCNCCC(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.57
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
CHRM2 P08172 12/20 0.51
GRIN1 Q05586 4/20 0.51
GRIN2A Q12879 4/20 0.51
BCHE P06276 4/20 0.51
ACHE P22303 4/20 0.51
CHRM4 P08173 4/20 0.51
CHRM5 P08912 4/20 0.51
CHRM1 P11229 4/20 0.51
CHRM3 P20309 4/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51
THPO P40225 1/20 0.51
RECQL P46063 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51

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
SCHEMBL21243265 0.88 MPO (0.70) MPOMTNR1AMTNR1BCHRM2GRIN1
SCHEMBL13965838 0.85 CHRM2 (0.66) CHRM2GRIN1GRIN2ABCHEACHE
SCHEMBL9973122 0.83 MEN1 (0.56) MPOMTNR1AMTNR1BCHRM2GRIN1
SCHEMBL31147801 0.83 TAAR1 (0.60) MPOMTNR1AMTNR1BCHRM2CHRM1
SCHEMBL7636733 0.83 TAAR1 (0.60) MPOMTNR1AMTNR1BCHRM2CHRM1
SCHEMBL7917106 0.80 BCHE (0.62) MPOMTNR1AMTNR1BCHRM2GRIN1
SCHEMBL19398947 0.80 TAAR1 (0.56) MPOMTNR1AMTNR1BCHRM2CHRM1
SCHEMBL4851028 0.80 MPO (0.64) MPOMTNR1AMTNR1BCHRM2GRIN1
SCHEMBL4855189 0.78 MTNR1A (0.57) MPOMTNR1AMTNR1BCA12CA1
SCHEMBL172536 0.77 TAAR1 (0.58) MPOCHRM2CHRM1CHRM3CYP3A4

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
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed
US-7462625-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-12-09 US disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 US 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-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR MPO 3561/4885MTNR1A 114/4885MTNR1B 95/4885

“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.