SCHEMBL13995264

SCHEMBL13995264

CC(C)CCN1CCCC(C(N)=O)C1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.64
KMT2A Q03164 2/20 0.56
GAA P10253 1/20 0.50
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KDM2B Q8NHM5 1/20 0.42

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
SCHEMBL30006184 0.85 KMT2A (0.64) BCHEKMT2AGAAALDH1A1MAPK1
SCHEMBL12320825 0.85 SLC6A1 (0.50) ALDH1A1KDM4ELMNA
SCHEMBL7389564 0.85 SLC6A1 (0.50) ALDH1A1KDM4ELMNA
SCHEMBL12155343 0.83 BCHE (0.77) BCHEKMT2AGAAALDH1A1MAPK1
SCHEMBL12011335 0.81 BCHE (0.65) BCHEKMT2AGAAALDH1A1MAPK1
SCHEMBL14524626 0.81 BCHE (0.65) BCHEKMT2AGAAALDH1A1MAPK1
SCHEMBL3518696 0.81 BCHE (0.65) BCHEKMT2AGAAALDH1A1MAPK1
SCHEMBL3937676 0.81 SMN1; SMN2 (0.59) BCHEKMT2AGAAALDH1A1MAPK1
SCHEMBL21047487 0.81 BCHE (0.66) BCHEKMT2AALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL28336861 0.81 SORT1 (0.41) BCHEKMT2AALDH1A1LMNAMEN1

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 6 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-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-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 BCHE 1747/4885KMT2A 1311/4885GAA 1355/4885

“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.