SCHEMBL29795138

SCHEMBL29795138

CCCCCNC(=O)N1C[C@@H](C)N(C2CC2)C[C@@H]1C.C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 4/20 0.37
▸ PKM P14618 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TSHR P16473 1/20 0.35
▸ KEAP1 Q14145 1/20 0.35
▸ NFE2L2 Q16236 1/20 0.35
▸ NAAA Q02083 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ GNAI3 P08754 1/20 0.33
▸ GNAO1 P09471 1/20 0.33
▸ GNAI1 P63096 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL23123543 0.89 PKM (0.42) PKMNAAAL3MBTL1
SCHEMBL24700631 0.83 TSHR (0.46) TSHRMAPTCHRM2CHRM1CHRM3
SCHEMBL24176155 0.78 EPHX1 (0.50) PKMNAAA
SCHEMBL29795100 0.76 CHRM1 (0.39) HDAC8PKMMEN1KMT2AKEAP1
SCHEMBL30874578 0.76 TSHR (0.41) TSHRMAPTCHRM2CHRM1CHRM3
SCHEMBL29795145 0.74 NR1H3 (0.39) HDAC8MEN1KMT2AKEAP1NFE2L2
SCHEMBL23123806 0.72 EPHX2 (0.53) TSHR
SCHEMBL7534544 0.71 TDP1 (0.50) MEN1KMT2AKEAP1NFE2L2POLB
SCHEMBL30768 0.70 KDM4E (0.43) PKMTSHRMAPT
SCHEMBL344752 0.70 TSHR (0.56) TSHRMAPTCHRM2CHRM1CHRM3

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-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 — — US disclosed
EP-4031540-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 — — EP 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-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GBA2, CLN6 HDAC8 154/4885PKM 1456/4885MEN1 2458/4885

“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.

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