SCHEMBL10064950

SCHEMBL10064950

O=C(c1ccccn1)[C@H](C[N+](=O)[O-])C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.45
GSK3B P49841 1/20 0.43
GRM5 P41594 1/20 0.42
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
MET P08581 1/20 0.40
KDR P35968 1/20 0.40
MERTK Q12866 1/20 0.40
EPHX2 P34913 1/20 0.39
GAA P10253 3/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
CYP1A2 P05177 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL14917222 1.00 GRM4 (0.45) GRM4GSK3BGRM5EGFRERBB2
SCHEMBL14916628 0.99 GRM4 (0.46) GRM4GSK3BGRM5EGFRERBB2
SCHEMBL14916629 0.99 GRM4 (0.46) GRM4GSK3BGRM5EGFRERBB2
SCHEMBL10065055 0.95 GSK3B (0.45) GRM4GSK3BGRM5KDRKDM4E
SCHEMBL14917388 0.95 GSK3B (0.45) GRM4GSK3BGRM5KDRKDM4E
SCHEMBL14917140 0.82 P2RX7 (0.38) GRM4KDM4ECES1ALDH1A1POLB
SCHEMBL14917141 0.82 P2RX7 (0.38) GRM4KDM4ECES1ALDH1A1POLB
SCHEMBL14916973 0.81 MAPT (0.45) GAAKDM4ESMYD3SMN1; SMN2ALDH1A1
SCHEMBL10065512 0.81 MAPT (0.45) GAAKDM4ESMYD3SMN1; SMN2ALDH1A1
SCHEMBL14916838 0.76 CTSS (0.36) SMN1; SMN2NPC1RAB9APOLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130116445-A1 TRIAZOLIUM CARBENE CATALYSTS AND PROCESSES FOR ASYMMETRIC CARBON-CARBON BOND FORMATION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-05-09 US disclosed
US-20130116445-A1 TRIAZOLIUM CARBENE CATALYSTS AND PROCESSES FOR ASYMMETRIC CARBON-CARBON BOND FORMATION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-05-09 US disclosed
US-20130116445-A1 TRIAZOLIUM CARBENE CATALYSTS AND PROCESSES FOR ASYMMETRIC CARBON-CARBON BOND FORMATION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-05-09 US disclosed
WO-2012009372-A2 TRIAZOLIUM CARBENE CATALYSTS AND PROCESSES FOR ASYMMETRIC CARBON-CARBON BOND FORMATION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-01-19 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-20130116445-A1 TRIAZOLIUM CARBENE CATALYSTS AND PROCESSES FOR ASYMMETRIC CARBON-CARBON BOND FORMATION TIMCC, CYCS, CTRC GRM4 3580/4885GSK3B 910/4885GRM5 3512/4885

“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.