SCHEMBL4026574

SCHEMBL4026574

O=CO[C@H]1NCCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRCP P42785 8/20 0.49
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 2/20 0.47
GID4 Q8IVV7 1/20 0.44
SLC22A1 O15245 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL7136888 1.00 PRCP (0.49) PRCPTSHRNPSR1GAAGID4
SCHEMBL6862036 0.83 PNMT (0.36) TSHRMAPTMEN1KMT2AKDM4E
SCHEMBL28048010 0.80 PRCP (0.45) PRCPTSHRNPSR1GAAGID4
SCHEMBL327054 0.77 PRCP (0.56) PRCPTSHRNPSR1GAAGID4
SCHEMBL31062461 0.77 PRCP (0.56) PRCPTSHRNPSR1GAAGID4
Hydrochloric Acid SCHEMBL2771890 0.76 PRCP (0.54) PRCPTSHRNPSR1GAAGID4
SCHEMBL16223395 0.75 TSHR (0.58) PRCPTSHRNPSR1GAAGID4
SCHEMBL5161528 0.75 TSHR (0.54) PRCPTSHRNPSR1GAAGID4
SCHEMBL16223438 0.75 TSHR (0.58) PRCPTSHRNPSR1GAAGID4
SCHEMBL5162567 0.75 TSHR (0.54) PRCPTSHRNPSR1GAAGID4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660091-B1 PYRIMIDINE-2,4-DIONE DERIVATIVES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES INC (US) 2009-04-15 EP disclosed
US-7329669-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-02-12 US disclosed
US-20070015778-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-01-18 US disclosed
US-7071200-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-07-04 US disclosed
EP-1660091-A1 PYRIMIDINE-2,4-DIONE DERIVATIVES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2006-05-31 EP disclosed
US-20050043338-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-02-24 US disclosed
WO-2005007164-A1 PYRIMIDINE-2,4-DIONE DERIVATIVES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2005-01-27 WO 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 (2 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-20050043338-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR PRCP 385/4885TSHR 45/4885NPSR1 34/4885
US-20070015778-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR PRCP 385/4885TSHR 45/4885NPSR1 34/4885

“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.