SCHEMBL29795144

SCHEMBL29795144

CC(C)(C)[C@]1(C)CC(N2CCCCC2)CCN1C(=O)O.CCCCCNC(=O)N1CCC(N2CCCCC2)C[C@@H]1C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ EPHX2 P34913 3/20 0.31
▸ NAAA Q02083 1/20 0.31
▸ EPHX1 P07099 9/20 0.31
▸ METAP2 P50579 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

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
Hydrochloric Acid SCHEMBL29795132 0.99 TSHR (0.32) TSHRDRD2DRD3KDM4EEPHX2
SCHEMBL23123416 0.84 NAAA (0.42) TSHRKDM4EEPHX2NAAAEPHX1
SCHEMBL24700520 0.84 NAAA (0.42) TSHRKDM4EEPHX2NAAAEPHX1
SCHEMBL23124305 0.84 NAAA (0.42) TSHRKDM4EEPHX2NAAAEPHX1
Hydrochloric Acid SCHEMBL23123876 0.83 NAAA (0.41) TSHRKDM4EEPHX2NAAAEPHX1
SCHEMBL23124012 0.78 SIGMAR1 (0.38) L3MBTL1
SCHEMBL23123297 0.74 NAAA (0.42) TSHRKDM4EEPHX2NAAAEPHX1
SCHEMBL23124026 0.73 NAAA (0.44) TSHRKDM4EEPHX2NAAAEPHX1
SCHEMBL23123916 0.71 FKBP1A (0.53) EPHX2EPHX1
SCHEMBL24700461 0.70 CHRM1 (0.42) KDM4EEPHX2NAAAEPHX1

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 TSHR 4313/4885DRD2 2779/4885DRD3 3760/4885

“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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