SCHEMBL18768614

SCHEMBL18768614

CCCNC(=O)C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 1/20 0.57
MAPT P10636 1/20 0.57
KMT2A Q03164 1/20 0.57
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.49
ITGB3 P05106 11/20 0.48
ITGA2B P08514 11/20 0.48
CHRM1 P11229 2/20 0.48
F2R P25116 2/20 0.47
NAAA Q02083 1/20 0.46
USP30 Q70CQ3 1/20 0.44

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
SCHEMBL30919787 0.93 MEN1 (0.55) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL12818553 0.90 ALDH1A1 (0.57) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL12966315 0.90 ALDH1A1 (0.57) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL12818111 0.90 ALDH1A1 (0.57) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL22412622 0.90 ALDH1A1 (0.60) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL18768309 0.90 ALDH1A1 (0.60) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL30229920 0.88 MAPT (0.55) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL8235662 0.88 KMT2A (0.55) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL7290589 0.86 CHRM1 (0.51) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL23261166 0.85 MEN1 (0.60) ALDH1A1MEN1MAPTKMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116895-A1 ESTER SUBSTITUTED ION CHANNEL BLOCKERS AND METHODS FOR USE NOCION THERAPEUTICS INC (US) 2024-04-11 US disclosed
US-11643404-B2 Ester substituted ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-05-09 US disclosed
EP-3937934-A1 ESTER SUBSTITUTED ION CHANNEL BLOCKERS AND METHODS FOR USE Nocion Therapeutics, Inc. (US) 2022-01-19 EP disclosed
CN-113924094-A Ester-substituted ion channel blockers and methods of use thereof 诺西恩医疗公司 2022-01-11 CN disclosed
US-20210070734-A1 ESTER SUBSTITUTED ION CHANNEL BLOCKERS AND METHODS FOR USE NOCION THERAPEUTICS INC (US) 2021-03-11 US disclosed
US-10927096-B2 Ester substituted ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2021-02-23 US disclosed
US-20200290991-A1 ESTER SUBSTITUTED ION CHANNEL BLOCKERS AND METHODS FOR USE Nocion Therapeutics, Inc. 2020-09-17 US disclosed
WO-2020185915-A1 ESTER SUBSTITUTED ION CHANNEL BLOCKERS AND METHODS FOR USE Nocion Therapeutics, Inc. (US) 2020-09-17 WO disclosed
WO-2017066705-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AGAINST STRESS GRANULES AQUINNAH PHARMACEUTICALS, INC. (US) 2017-04-20 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 (5 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-20240116895-A1 ESTER SUBSTITUTED ION CHANNEL BLOCKERS AND METHODS FOR USE TRPV1, TRPA1, TRPV2 ALDH1A1 1138/4885MEN1 3533/4885MAPT 2258/4885
US-20210070734-A1 ESTER SUBSTITUTED ION CHANNEL BLOCKERS AND METHODS FOR USE TRPV1, TRPA1, TRPV2 ALDH1A1 1138/4885MEN1 3533/4885MAPT 2258/4885
US-10927096-B2 Ester substituted ion channel blockers and methods for use TRPV1, TRPA1, TRPV2 ALDH1A1 1138/4885MEN1 3533/4885MAPT 2258/4885
US-20200290991-A1 ESTER SUBSTITUTED ION CHANNEL BLOCKERS AND METHODS FOR USE TRPV1, TRPA1, TRPV2 ALDH1A1 1138/4885MEN1 3533/4885MAPT 2258/4885
US-11643404-B2 Ester substituted ion channel blockers and methods for use TRPV1, TRPA1, TRPV2 ALDH1A1 1138/4885MEN1 3533/4885MAPT 2258/4885

“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.