SCHEMBL13801835

SCHEMBL13801835

CC(C)(C)OCCCCCN1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.50
GNAO1 P09471 4/20 0.41
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GNAI3 P08754 3/20 0.39
GNAI1 P63096 3/20 0.39
HRH3 Q9Y5N1 2/20 0.38
SOD3 P08294 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL15217036 0.93 CXCR4 (0.46) CXCR4GNAO1ALDH1A1MEN1MAPT
SCHEMBL15256850 0.85 CXCR4 (0.53) CXCR4GNAO1SMN1; SMN2GNAI3GNAI1
SCHEMBL8036108 0.85 SIGMAR1 (0.41) CXCR4ALDH1A1MEN1MAPTKMT2A
SCHEMBL26972454 0.85 HRH3 (0.41) ALDH1A1HRH3KDM4E
SCHEMBL26799755 0.84 CXCR4 (0.39) CXCR4ALDH1A1MEN1MAPTKMT2A
SCHEMBL22560691 0.83 HRH3 (0.41) GNAO1ALDH1A1GNAI3GNAI1HRH3
SCHEMBL13801832 0.83 HRH3 (0.54) ALDH1A1MEN1KMT2AHRH3KDM4E
SCHEMBL20128853 0.82 HRH3 (0.38) GNAO1ALDH1A1GNAI3GNAI1HRH3
SCHEMBL21664604 0.82 HRH3 (0.38) GNAO1ALDH1A1GNAI3GNAI1HRH3
SCHEMBL13801829 0.81 HRH3 (0.58) ALDH1A1HRH3

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-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-7250442-B2 Dihydroindol-2-one derivatives as steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2007-07-31 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-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS NR5A1, NR3C2, NR3C1 CXCR4 2779/4885GNAO1 1278/4885ALDH1A1 1812/4885

“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.