SCHEMBL20030198

SCHEMBL20030198

CCC(C)c1ccc(NC(=O)Cn2cnc3c2C(=O)N(C)C(O)N3C)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.56
▸ TSHR P16473 1/20 0.45
▸ ALDH1A1 P00352 6/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.41
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ NTRK1 P04629 1/20 0.38
▸ NTRK2 Q16620 1/20 0.38
▸ PDE7A Q13946 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ PDE4B Q07343 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
SCHEMBL20029975 0.85 MEN1 (0.48) TRPA1TSHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL19590905 0.82 TRPA1 (0.41) TRPA1TSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL21935695 0.82 PORCN (0.46) TRPA1SMN1; SMN2
SCHEMBL19590909 0.80 KMT2A (0.47) TSHRALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL19626687 0.79 SMN1; SMN2 (0.42) ALDH1A1RAB9AUSP2HPGDSMN1; SMN2
SCHEMBL22105261 0.78 PSEN1 (0.41) ALDH1A1RAB9AKDM4ESMN1; SMN2LMNA
SCHEMBL22105263 0.78 PORCN (0.40) TRPA1ALDH1A1USP2SMN1; SMN2HSD17B10
SCHEMBL19997382 0.78 PORCN (0.40) TRPA1ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL19590943 0.78 GAA (0.45) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL19626536 0.77 MAPT (0.47) TRPA1ALDH1A1HPGDSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10351567-B2 Methods and compositions for treating pain ELI LILLY AND COMPANY (US) 2019-07-16 — — US disclosed
US-20180093986-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN HYDRA BIOSCIENCES, INC. (US) 2018-04-05 — — 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-10351567-B2 Methods and compositions for treating pain ACHE, COL2A1, MMP8 TRPA1 59/4885TSHR 4859/4885ALDH1A1 540/4885
US-20180093986-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 TRPA1 59/4885TSHR 4859/4885ALDH1A1 540/4885

“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