SCHEMBL13337023

SCHEMBL13337023

CC(C)NCC1Cc2ccccc2CN1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.41
HTR2C P28335 1/20 0.39
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ACE P12821 2/20 0.34
OPRM1 P35372 5/20 0.33
OPRD1 P41143 3/20 0.33
OPRK1 P41145 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
OPRL1 P41146 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
SCHEMBL19626677 0.83 OPRM1 (0.43) CXCR4HTR2CMEN1KMT2AACE
SCHEMBL13587827 0.81 CXCR4 (0.41) CXCR4MEN1KMT2AACEOPRM1
SCHEMBL7309721 0.80 CXCR4 (0.40) CXCR4MEN1KMT2AACEOPRM1
SCHEMBL14558528 0.80 CXCR4 (0.40) CXCR4MEN1KMT2AACEOPRM1
SCHEMBL15701682 0.78 HRH3 (0.45) CXCR4OPRM1HRH3OPRL1
SCHEMBL15701679 0.77 CXCR4 (0.46) CXCR4HTR2CMEN1KMT2AACE
SCHEMBL28303172 0.77 MEN1 (0.45) CXCR4MEN1KMT2AACEOPRM1
SCHEMBL29538245 0.77 MEN1 (0.45) CXCR4MEN1KMT2AACEOPRM1
SCHEMBL14603017 0.76 CXCR4 (0.39) CXCR4MEN1KMT2AACEOPRM1
SCHEMBL15701683 0.74 OPRM1 (0.46) CXCR4HTR2COPRM1HRH3OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130581-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN THE UNIVERSITY OF QUEENSLAND 2010-05-27 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-20100130581-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN OPRL1, CRH, OPRK1 CXCR4 341/4885HTR2C 147/4885MEN1 3073/4885

“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.