SCHEMBL13995960

SCHEMBL13995960

CC(C)C[C@H](C)NCC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
BCHE P06276 1/20 0.37
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
EPHX1 P07099 3/20 0.34
EPHX2 P34913 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32

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
SCHEMBL13995851 1.00 HTT (0.45) HTTSIGMAR1ADH1BADH1CADH1A
SCHEMBL14810792 0.81 HTT (0.46) HTTSIGMAR1ADH1BADH1CADH1A
SCHEMBL172619 0.81 HTT (0.46) HTTSIGMAR1ADH1BADH1CADH1A
SCHEMBL8713746 0.80 HTT (0.37) HTTSIGMAR1ADH1BADH1CADH1A
SCHEMBL14176594 0.80 ADH1B (0.44) HTTSIGMAR1ADH1BADH1CADH1A
SCHEMBL22899465 0.80 ADH1B (0.44) HTTSIGMAR1ADH1BADH1CADH1A
SCHEMBL104714 0.80 ADH1B (0.44) HTTSIGMAR1ADH1BADH1CADH1A
SCHEMBL21643609 0.79 HTT (0.45) HTTSIGMAR1ADH1BADH1CADH1A
SCHEMBL20495655 0.78 HTT (0.48) HTTSIGMAR1ADH1BADH1CADH1A
SCHEMBL19432669 0.78 BCHE (0.36) HTTSIGMAR1ADH1BADH1CADH1A

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
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 HTT 1741/4885SIGMAR1 392/4885ADH1B 2121/4885

“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.