SCHEMBL79186

SCHEMBL79186

CN(C(=O)O)c1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.50
P2RX1 P51575 1/20 0.43
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
POLQ O75417 3/20 0.39
CES2 O00748 1/20 0.37
GPBAR1 Q8TDU6 3/20 0.37
TP53 P04637 1/20 0.36
GPR35 Q9HC97 1/20 0.35

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
SCHEMBL15397669 0.89 TACR1 (0.59) TACR1P2RX1RXRARXRBRXRG
SCHEMBL2092299 0.83 CES2 (0.41) TACR1CES2
SCHEMBL28764509 0.78 TACR1 (0.56) TACR1P2RX1RXRARXRBRXRG
SCHEMBL12435510 0.77 TACR1 (0.54) TACR1P2RX1CES2TP53
SCHEMBL11174926 0.76 TACR1 (0.50) TACR1RXRARXRBRXRGPOLQ
SCHEMBL11006983 0.76 TACR1 (0.57) TACR1P2RX1RXRARXRBRXRG
SCHEMBL14300675 0.76 TACR1 (0.43) TACR1P2RX1RXRARXRBRXRG
SCHEMBL2094862 0.74 SMN1; SMN2 (0.51) TACR1POLQCES2
SCHEMBL19948809 0.72 TACR1 (0.53) TACR1RXRARXRBRXRG
SCHEMBL11103938 0.72 RXRB (0.45) TACR1P2RX1RXRARXRBRXRG

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-8618162-B2 Insecticidal carbamates exhibiting species-selective inhibition of acetylcholinesterase (AChE) VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2013-12-31 US disclosed
US-20120122970-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2012-05-17 US disclosed
US-8129428-B2 Insecticidal carbamates exhibiting species-selective inhibition of acetylcholinesterase (AChE) VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2012-03-06 US disclosed
US-20090068242-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2009-03-12 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-20090068242-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) ACHE, BCHE, CHAT TACR1 584/4885P2RX1 1404/4885RXRA 4238/4885
US-20120122970-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) ACHE, BCHE, CHAT TACR1 584/4885P2RX1 1404/4885RXRA 4238/4885

“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.