SCHEMBL13995348

SCHEMBL13995348

CC(C)CCN(Cc1cccnc1)Cc1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.56
CHRNA4 P43681 3/20 0.56
CHRNA7 P36544 1/20 0.49
LMNA P02545 1/20 0.46
ALDH1A1 P00352 2/20 0.44
NAMPT P43490 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
SLC1A5 Q15758 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
RIPK1 Q13546 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GRM2 Q14416 1/20 0.41

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
SCHEMBL170880 0.86 RECQL (0.51) CHRNB2CHRNA4CHRNA7LMNAALDH1A1
SCHEMBL16625906 0.85 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA7LMNAALDH1A1
SCHEMBL26239734 0.84 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA7LMNAALDH1A1
SCHEMBL16606314 0.80 CHRNB2 (0.69) CHRNB2CHRNA4CHRNA7CYP1A2CYP2D6
SCHEMBL13509698 0.78 CHRNB2 (0.59) CHRNB2CHRNA4CHRNA7LMNAALDH1A1
SCHEMBL13995266 0.78 OPRK1 (0.53) ALDH1A1OPRM1OPRD1OPRK1
SCHEMBL15699208 0.78 CHRNB2 (0.69) CHRNB2CHRNA4CHRNA7LMNAALDH1A1
SCHEMBL7215289 0.77 CHRNB2 (0.56) CHRNB2CHRNA4CHRNA7ALDH1A1CYP1A2
SCHEMBL27928441 0.77 CHRNA7 (0.58) CHRNB2CHRNA4CHRNA7CYP1A2CYP2D6
SCHEMBL12197592 0.77 CHRNB2 (0.72) CHRNB2CHRNA4CHRNA7ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CHRNB2 503/4885CHRNA4 408/4885CHRNA7 467/4885

“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.