SCHEMBL4752965

SCHEMBL4752965

[C-]#[N+]c1cc(C)c(-c2cc(C(=O)N(C)c3c(C)cccc3OCCC(=O)OCC)ccc2Cl)cn1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.34
GPBAR1 Q8TDU6 5/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
RORA P35398 1/20 0.31
RORB Q92753 1/20 0.31

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
SCHEMBL4815508 0.86 GPBAR1 (0.36) RORCGPBAR1ALDH1A1KDM4EPOLB
SCHEMBL4752958 0.81 GPBAR1 (0.39) RORCGPBAR1LMNARORARORB
SCHEMBL3336860 0.78 GPBAR1 (0.39) RORCGPBAR1RORARORB
SCHEMBL4752951 0.78 GPBAR1 (0.39) RORCGPBAR1RORARORB
SCHEMBL3341033 0.77 GPBAR1 (0.37) RORCGPBAR1
SCHEMBL4752956 0.74 GPBAR1 (0.45) GPBAR1
SCHEMBL30509071 0.74 GPBAR1 (0.41) RORCGPBAR1ALDH1A1LMNAKDM4E
SCHEMBL30509074 0.73 GPBAR1 (0.39) RORCGPBAR1LMNAKDM4E
SCHEMBL3342041 0.73 GPBAR1 (0.39) RORCGPBAR1LMNAKDM4E
SCHEMBL3337112 0.72 GPBAR1 (0.39) RORCGPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422310-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2016-08-23 US disclosed
US-20150183800-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2015-07-02 US disclosed
US-8952161-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2015-02-10 US disclosed
US-20140024665-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2014-01-23 US disclosed
US-8481738-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2013-07-09 US disclosed
US-20120122891-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2012-05-17 US disclosed
US-8084614-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2011-12-27 US disclosed
US-20100152207-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2010-06-17 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 (4 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-20120122891-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR RORC 850/4885GPBAR1 76/4885ALDH1A1 2850/4885
US-20150183800-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR RORC 850/4885GPBAR1 76/4885ALDH1A1 2850/4885
US-20140024665-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR RORC 850/4885GPBAR1 76/4885ALDH1A1 2850/4885
US-20100152207-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR RORC 857/4885GPBAR1 76/4885ALDH1A1 2873/4885

“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.