SCHEMBL3326401

SCHEMBL3326401

CCCCCCCC[N]C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.46
CYP1A2 P05177 1/20 0.38
NAAA Q02083 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.36
EPHX1 P07099 7/20 0.34
EPHX2 P34913 1/20 0.33

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
SCHEMBL10444336 0.98 SIGMAR1 (0.49) SIGMAR1CYP1A2NAAAMEN1KMT2A
SCHEMBL9214648 0.98 SIGMAR1 (0.49) SIGMAR1CYP1A2NAAAMEN1KMT2A
SCHEMBL9737302 0.98 SIGMAR1 (0.49) SIGMAR1CYP1A2NAAAMEN1KMT2A
SCHEMBL10501805 0.98 SIGMAR1 (0.49) SIGMAR1CYP1A2NAAAMEN1KMT2A
SCHEMBL6380675 0.98 SIGMAR1 (0.43) SIGMAR1CYP1A2NAAAMEN1KMT2A
SCHEMBL10444597 0.95 SIGMAR1 (0.42) SIGMAR1CYP1A2NAAAMEN1KMT2A
SCHEMBL7055348 0.95 SIGMAR1 (0.42) SIGMAR1CYP1A2NAAAMEN1KMT2A
SCHEMBL7054446 0.95 SIGMAR1 (0.46) SIGMAR1CYP1A2NAAAEPHX1EPHX2
SCHEMBL921655 0.93 SIGMAR1 (0.39) SIGMAR1CYP1A2NAAAMEN1KMT2A
SCHEMBL920855 0.91 CYP1A2 (0.41) SIGMAR1CYP1A2NAAAMEN1KMT2A

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 SIGMAR1 119/4885CYP1A2 2162/4885NAAA 551/4885

“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.