SCHEMBL17210341

SCHEMBL17210341

COC(=O)[C@H](C)n1cnc2[nH]c(=O)n(C)c(=O)c21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
LMNA P02545 1/20 0.55
CYP3A4 P08684 1/20 0.55
MAPT P10636 1/20 0.55
TSHR P16473 1/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55
HPGD P15428 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TRPA1 O75762 3/20 0.37
APAF1 O14727 1/20 0.37
CASP6 P55212 1/20 0.37
GDA Q9Y2T3 1/20 0.36
CDK1 P06493 1/20 0.36
CNOT7 Q9UIV1 1/20 0.36
KMT2A Q03164 2/20 0.35
MAPK1 P28482 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
SCHEMBL17210350 0.86 ALDH1A1 (0.57) ALDH1A1LMNACYP3A4MAPTTSHR
SCHEMBL17609815 0.81 MAPK1 (0.54) ALDH1A1LMNACYP3A4MAPTPMP22
SCHEMBL17609817 0.81 MAPK1 (0.54) ALDH1A1LMNACYP3A4MAPTPMP22
SCHEMBL17210370 0.77 SMN1; SMN2 (0.55) LMNAADORA2AADORA2BPOLBTRPA1
SCHEMBL28771624 0.77 SMN1; SMN2 (0.55) LMNAADORA2AADORA2BPOLBTRPA1
SCHEMBL15891082 0.77 SMN1; SMN2 (0.55) LMNAADORA2AADORA2BPOLBTRPA1
SCHEMBL18175081 0.74 ALDH1A1 (0.43) ALDH1A1LMNACYP3A4MAPTTSHR
SCHEMBL17205138 0.73 TRPA1 (0.46) HPGDADORA2BPOLBNPSR1TRPA1
SCHEMBL17205140 0.73 TRPA1 (0.46) HPGDADORA2BPOLBNPSR1TRPA1
SCHEMBL17619879 0.72 HPGD (0.42) ALDH1A1HPGDPOLBNPSR1TRPA1

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
EP-3134410-B1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL LILLY CO ELI (US) 2021-03-10 EP disclosed
US-10428072-B2 Inhibiting the transient receptor potential A1 ion channel ELI LILLY AND COMPANY (US) 2019-10-01 US disclosed
US-20170050966-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL MERCK & CO., INC. 2017-02-23 US disclosed
US-20170050966-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL MERCK & CO., INC. 2017-02-23 US disclosed
WO-2015164643-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL HYDRA BIOSCIENCES, INC. (US) 2015-10-29 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 (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-10428072-B2 Inhibiting the transient receptor potential A1 ion channel TRPA1, TRPV1, TRPV2 ALDH1A1 660/4885LMNA 2100/4885CYP3A4 2991/4885
US-20170050966-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL TRPA1, TRPV1, TRPV2 ALDH1A1 660/4885LMNA 2100/4885CYP3A4 2991/4885

“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.