SCHEMBL2196763

SCHEMBL2196763

Cn1ccn(Cc2ccc(C(F)(F)F)cc2)c1=[Pt].IN(I)C12CCC(CC1)CC2

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.35
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
HSD11B1 P28845 1/20 0.34
OPRM1 P35372 1/20 0.33
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 4/20 0.33
CHKA P35790 1/20 0.32
KCNH2 Q12809 1/20 0.32
HTR6 P50406 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
BACE1 P56817 1/20 0.31
CYP3A4 P08684 1/20 0.30
DNMT1 P26358 1/20 0.30
EHMT2 Q96KQ7 1/20 0.30

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
SCHEMBL2192457 0.88 MAPT (0.42) GAAHSD11B1KDM4EALDH1A1SMN1; SMN2
SCHEMBL2197410 0.84 KDM4E (0.37) OPRL1POLBGAAOPRM1KDM4E
SCHEMBL2195127 0.84 MAPT (0.36) POLBGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL2196316 0.83 KDM4E (0.39) OPRL1KDM4EALDH1A1CHKAKCNH2
SCHEMBL2192965 0.82 KDM4E (0.38) OPRL1HSD11B1KDM4EALDH1A1CHKA
SCHEMBL2196211 0.81 KDM4E (0.40) OPRL1HSD11B1KDM4EALDH1A1CHKA
SCHEMBL2194637 0.81 KDM4E (0.40) OPRL1HSD11B1KDM4EALDH1A1CHKA
SCHEMBL2197296 0.80
SCHEMBL2196021 0.79 KDM4E (0.36) OPRL1POLBGAAKDM4EALDH1A1
SCHEMBL2197185 0.79 SIGMAR1 (0.42) GAAOPRM1KDM4EALDH1A1SMN1; SMN2

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 OPRL1 215/4885POLB 760/4885GAA 4532/4885
US-20110172199-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SCO2, C3AR1, IDH1 OPRL1 215/4885POLB 760/4885GAA 4532/4885

“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.