SCHEMBL172345

SCHEMBL172345

CC(C)[C@H](C)CNCc1cc(Cl)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.51
AVPR1A P37288 2/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 3/20 0.49
HTT P42858 3/20 0.49
HIF1A Q16665 3/20 0.49
HPGD P15428 3/20 0.49
ALOX15 P16050 3/20 0.49
CYP3A4 P08684 2/20 0.49
ALOX12 P18054 2/20 0.49
SLC22A1 O15245 1/20 0.49
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.49
HSP90AA1 P07900 1/20 0.49
HSPD1 P10809 1/20 0.49
HSPA5 P11021 1/20 0.49
IDO1 P14902 1/20 0.49
CASP1 P29466 1/20 0.49
BLM P54132 1/20 0.49

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
SCHEMBL172356 0.87 OXTR (0.54) OXTRAVPR1AMEN1KMT2AMAPT
SCHEMBL27658447 0.78 OXTR (0.58) OXTRAVPR1AMEN1KMT2AMAPT
SCHEMBL23915663 0.78 OXTR (0.61) OXTRAVPR1AMEN1KMT2AMAPT
SCHEMBL13995732 0.77 TSHR (0.62) HIF1ACA12CA2CA9POLB
SCHEMBL13995849 0.77 TSHR (0.62) HIF1ACA12CA2CA9POLB
SCHEMBL13995717 0.75 POLB (0.43) MEN1KMT2AMAPTHIF1AHPGD
SCHEMBL13995716 0.75 OPRK1 (0.49) MEN1KMT2AHTTALOX15CYP3A4
SCHEMBL17069247 0.74 GABRA1 (0.63) OXTRAVPR1AMEN1KMT2AMAPT
SCHEMBL12305651 0.74 MEN1 (0.67) OXTRAVPR1AMEN1KMT2AMAPT
SCHEMBL16791829 0.73 OXTR (0.56) OXTRAVPR1AMEN1KMT2AMAPT

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 5 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
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 OXTR 48/4885AVPR1A 24/4885MEN1 510/4885

“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.