SCHEMBL14917140

SCHEMBL14917140

O=C(c1cccnn1)[C@H](C[N+](=O)[O-])C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.38
CNR1 P21554 2/20 0.35
GRM4 Q14833 1/20 0.34
C3AR1 Q16581 2/20 0.34
FPR2 P25090 1/20 0.34
AHR P35869 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CES1 P23141 1/20 0.32
EPHX1 P07099 2/20 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
SCHEMBL14917141 1.00 P2RX7 (0.38) P2RX7CNR1GRM4C3AR1FPR2
SCHEMBL14916629 0.84 GRM4 (0.46) CNR1GRM4MEN1KMT2AKDM4E
SCHEMBL14916628 0.84 GRM4 (0.46) CNR1GRM4MEN1KMT2AKDM4E
SCHEMBL14917222 0.82 GRM4 (0.45) GRM4MEN1KMT2APOLBKDM4E
SCHEMBL10064950 0.82 GRM4 (0.45) GRM4MEN1KMT2APOLBKDM4E
SCHEMBL10065055 0.77 GSK3B (0.45) GRM4MEN1KMT2APOLBKDM4E
SCHEMBL14917388 0.77 GSK3B (0.45) GRM4MEN1KMT2APOLBKDM4E
SCHEMBL14916973 0.77 MAPT (0.45) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL10065512 0.77 MAPT (0.45) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL14916838 0.74 CTSS (0.36) CNR1POLB

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 3 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

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 P2RX7 4776/4885CNR1 1660/4885GRM4 3580/4885

“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.