SCHEMBL2193629

SCHEMBL2193629

Clc1ccc(CN(I)I)cc1.Cn1ccn(CC2CCCCC2)c1=[Pt]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.39
OPRL1 P41146 1/20 0.39
LSS P48449 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC6A3 Q01959 1/20 0.36
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
CNR2 P34972 1/20 0.33
NR1D1 P20393 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 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
SCHEMBL2197294 0.94 LSS (0.37) OPRM1OPRL1LSSCYP3A4CYP2D6
SCHEMBL2196217 0.90 KMT2A (0.36) OPRM1OPRL1OPRD1OPRK1CNR2
SCHEMBL2193070 0.89 GRIN2A (0.36) OPRM1OPRL1SMN1; SMN2SLC6A4OPRK1
SCHEMBL2192607 0.89 CNR1 (0.32) MEN1KMT2ACNR1
SCHEMBL2194299 0.88 CNR1 (0.35) SLC6A4RAB9AMEN1KMT2ACNR1
SCHEMBL2194682 0.86 OPRM1 (0.36) OPRM1OPRL1SLC6A2SLC6A4OPRD1
SCHEMBL2194972 0.84 CNR1 (0.31) CYP2C9CYP2C19CNR1
SCHEMBL15085520 0.83 MAPK13 (0.32) MEN1KMT2A
SCHEMBL2195161 0.82 HTR7 (0.32)
SCHEMBL2196288 0.82 GRIN2A (0.40) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8980875-B2 Platinum-N-heterocyclic carbene derivatives, preparation thereof and therapeutic use thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-03-17 US claimed
US-20130338128-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-12-19 US claimed
US-8481522-B2 Platinum-N-heterocyclic carbene derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-07-09 US claimed
US-20110172199-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-07-14 US claimed
US-20110172199-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-07-14 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 (2 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-20130338128-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SCO2, C3AR1, IDH1 OPRM1 175/4885OPRL1 215/4885LSS 4688/4885
US-20110172199-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SCO2, C3AR1, IDH1 OPRM1 175/4885OPRL1 215/4885LSS 4688/4885

“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.