SCHEMBL15514958

SCHEMBL15514958

O=C(O)N(c1ccc(I)cc1)C1C2CC3CC(C2)CC1C3

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 5/20 0.40
EPHX2 P34913 3/20 0.37
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
TPMT P51580 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
HSD11B1 P28845 1/20 0.31
KMT2A Q03164 1/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL15515148 0.66 HTR2A (0.50)
SCHEMBL7401099 0.65 HSD11B1 (0.40) EPHX2CA1CA2L3MBTL1HSD11B1
SCHEMBL3071621 0.64 HSD11B1 (0.43) EPHX2L3MBTL1HSD11B1
SCHEMBL536531 0.61 CXCR3 (0.44) CXCR3EPHX2TP53CYP1A2CYP3A4
SCHEMBL2097717 0.61 TPMT (0.44) TPMTCA1CA2
Adamantane SCHEMBL28567812 0.61 CHRM2 (0.40) CXCR3EPHX2TP53CYP1A2CYP3A4
SCHEMBL4110715 0.60 EPHX2 (0.68) CXCR3EPHX2TP53CYP1A2CYP3A4
SCHEMBL2095874 0.60 NPSR1 (0.54) TPMTCA1CA2L3MBTL1KMT2A
SCHEMBL28207613 0.59 KDM4E (0.45) EPHX2L3MBTL1KMT2A
SCHEMBL13410874 0.59 L3MBTL1 (0.56) EPHX2TP53L3MBTL1HSD11B1KMT2A

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-20150217004-A1 CARBAMATE COMPOUNDS AND METHODS OF USE IN DISEASES OF THE NERVOUS SYSTEM TREVENTIS CORPORATION 2015-08-06 US disclosed
WO-2014039526-A2 CARBAMATE COMPOUNDS AND METHODS OF USE IN DISEASES OF THE NERVOUS SYSTEM TREVENTIS CORPORATION (US) 2014-03-13 WO 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-20150217004-A1 CARBAMATE COMPOUNDS AND METHODS OF USE IN DISEASES OF THE NERVOUS SYSTEM CHAT, ACHE, HCRTR1 CXCR3 2919/4885EPHX2 1919/4885TP53 3127/4885

“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.