SCHEMBL7274575

SCHEMBL7274575

CC(C)CCN1CCC[C@H]1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD11B1 P28845 1/20 0.40
ACE P12821 3/20 0.38
RAB9A P51151 1/20 0.38
SORT1 Q99523 1/20 0.38
REN P00797 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.37
BCHE P06276 1/20 0.37
SPHK1 Q9NYA1 1/20 0.36
HTT P42858 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR4 Q13639 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL7309278 1.00 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2HSD11B1ACERAB9A
SCHEMBL18735809 0.85 ACE (0.49) HSD11B1ACERAB9ARENLMNA
SCHEMBL22021311 0.85 ACE (0.49) HSD11B1ACERAB9ARENLMNA
SCHEMBL16681841 0.85 ACE (0.49) HSD11B1ACERAB9ARENLMNA
SCHEMBL18875527 0.83 F2 (0.41) ACERAB9ARENKMT2ALMNA
SCHEMBL4901979 0.83 F2 (0.41) ACERAB9ARENKMT2ALMNA
SCHEMBL18875546 0.83 F2 (0.41) ACERAB9ARENKMT2ALMNA
SCHEMBL18875713 0.83 F2 (0.41) ACERAB9ARENKMT2ALMNA
SCHEMBL18875724 0.83 F2 (0.41) ACERAB9ARENKMT2ALMNA
SCHEMBL18875644 0.83 F2 (0.41) ACERAB9ARENKMT2ALMNA

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
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
EP-0346847-B1 Amino acid derivatives HOFFMANN LA ROCHE (CH) 1994-05-11 EP disclosed
EP-0346847-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-12-20 EP 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 ALDH1A1 3443/4885SMN1; SMN2 4398/4885HSD11B1 754/4885

“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.