SCHEMBL172642

SCHEMBL172642

CC(C)CCN1CCC(C#N)(c2ccccc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.61
OPRD1 P41143 1/20 0.59
ADRA1D P25100 5/20 0.56
ADRA1A P35348 5/20 0.56
ADRA1B P35368 4/20 0.56
HRH3 Q9Y5N1 1/20 0.53
OPRL1 P41146 3/20 0.52
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48

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
SCHEMBL12265184 0.86 OPRL1 (0.63) OPRM1OPRD1ADRA1DADRA1AADRA1B
SCHEMBL8187774 0.82 ADRA1D (0.58) OPRM1OPRD1ADRA1DADRA1AADRA1B
SCHEMBL27796310 0.81 OPRM1 (0.71) OPRM1OPRD1ADRA1DADRA1AADRA1B
SCHEMBL11602963 0.81 OPRM1 (0.70) OPRM1OPRD1ADRA1DADRA1AADRA1B
SCHEMBL7664626 0.81 OPRM1 (0.66) OPRM1OPRD1ADRA1DADRA1AADRA1B
SCHEMBL7840973 0.81 OPRM1 (0.66) OPRM1OPRD1ADRA1DADRA1AADRA1B
SCHEMBL11602782 0.81 OPRM1 (0.66) OPRM1OPRD1ADRA1DADRA1AADRA1B
SCHEMBL10795357 0.81 OPRM1 (0.66) OPRM1OPRD1ADRA1DADRA1AADRA1B
SCHEMBL11749081 0.80 CYP2D6 (0.57) OPRM1OPRD1ADRA1AHRH3OPRL1
SCHEMBL6891511 0.80 OPRM1 (0.69) OPRM1OPRD1ADRA1DADRA1AADRA1B

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 OPRM1 306/4885OPRD1 295/4885ADRA1D 351/4885

“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.