SCHEMBL21413005

SCHEMBL21413005

CN1C(=O)c2c(ncn2CC(=O)Nc2ccnc(Cl)n2)N(C)C1O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.37
▸ TRPA1 O75762 6/20 0.35
▸ YTHDC1 Q96MU7 1/20 0.34
▸ TRPV4 Q9HBA0 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ POLB P06746 2/20 0.32
▸ THRB P10828 1/20 0.32
▸ BCL6 P41182 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ PORCN Q9H237 1/20 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
SCHEMBL21412998 0.79 TRPA1 (0.42) TRPA1
SCHEMBL19997380 0.77 WNT3A (0.44) TRPA1PORCN
SCHEMBL21935695 0.77 PORCN (0.46) TRPA1TRPV4TP53RXFP1SMN1; SMN2
SCHEMBL19590943 0.77 GAA (0.45) POLBSMN1; SMN2ALDH1A1
SCHEMBL23416909 0.76 PORCN (0.58) TRPA1PORCN
SCHEMBL19626366 0.76 PORCN (0.42) TRPA1TRPV4PORCN
SCHEMBL21412993 0.76 TRPA1 (0.39) TRPA1
SCHEMBL19590966 0.75 ALDH1A1 (0.51) MAPTTP53POLBTHRBKMT2A
SCHEMBL22085071 0.74 SMN1; SMN2 (0.46) RXFP1POLBKMT2ASMN1; SMN2ALDH1A1
SCHEMBL23416897 0.74 CYP1A2 (0.42) TRPA1TRPV4MAPTRXFP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428072-B2 Inhibiting the transient receptor potential A1 ion channel ELI LILLY AND COMPANY (US) 2019-10-01 — — 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-10428072-B2 Inhibiting the transient receptor potential A1 ion channel TRPA1, TRPV1, TRPV2 GRM5 411/4885TRPA1 1/4885YTHDC1 4850/4885

“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.

Send feedback