SCHEMBL14944853

SCHEMBL14944853

CC(C)(C)N1CCCN(C2CCCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.47
TSHR P16473 2/20 0.37
GAA P10253 1/20 0.37
PHGDH O43175 1/20 0.36
MGLL Q99685 1/20 0.36
HTR6 P50406 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL18053620 0.94 SIGMAR1 (0.45) SIGMAR1TSHRGAAPHGDHMGLL
SCHEMBL14155850 0.94 SIGMAR1 (0.51) SIGMAR1TSHRGAAPHGDHMGLL
SCHEMBL4544710 0.91 SIGMAR1 (0.54) SIGMAR1TSHRGAAPHGDHMGLL
SCHEMBL20256063 0.91 SIGMAR1 (0.54) SIGMAR1TSHRGAAPHGDHMGLL
SCHEMBL4440912 0.89 SIGMAR1 (0.47) SIGMAR1TSHRGAAPHGDHMGLL
SCHEMBL13439372 0.86 L3MBTL3 (0.42) SIGMAR1L3MBTL3L3MBTL1
SCHEMBL12563384 0.85 L3MBTL3 (0.39) SIGMAR1L3MBTL3L3MBTL1
SCHEMBL11916112 0.84 SIGMAR1 (0.42) SIGMAR1TSHRGAANPSR1MEN1
SCHEMBL23718057 0.83 L3MBTL3 (0.39) SIGMAR1HTR6L3MBTL3L3MBTL1MEN1
SCHEMBL117945 0.82 SIGMAR1 (0.41) SIGMAR1TSHRGAAL3MBTL3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871789-B2 Method of preventing or treating viral infection THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-10-28 US disclosed
US-20130123344-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2013-05-16 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-20130123344-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION KDM1B, KDM1A, KDM2A SIGMAR1 3795/4885TSHR 4105/4885GAA 4012/4885

“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.