SCHEMBL23123407

SCHEMBL23123407

CC1(C)CC(N2CCCCC2)C(Cc2ccccc2)CN1C(=O)NCCCCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.43
▸ FKBP1A P62942 5/20 0.43
▸ EPHX1 P07099 1/20 0.42
▸ EPHX2 P34913 2/20 0.41
▸ ASAH1 Q13510 4/20 0.41
▸ TPSAB1 Q15661 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ FPR3 P25089 1/20 0.39
▸ FPR2 P25090 1/20 0.39

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
SCHEMBL23124014 0.93 HRH3 (0.43) EPHX1EPHX2HPGDSMN1; SMN2FPR3
SCHEMBL23123350 0.92 MEN1 (0.40) NAMPTFKBP1AASAH1HPGD
SCHEMBL23123605 0.92 KEAP1 (0.39) NAMPTFKBP1AEPHX1EPHX2ASAH1
SCHEMBL23124249 0.81 FKBP1A (0.48) NAMPTFKBP1AEPHX1EPHX2ASAH1
SCHEMBL29789645 0.80 FKBP1A (0.46) NAMPTFKBP1AEPHX1EPHX2ASAH1
SCHEMBL23124135 0.79 NAMPT (0.48) NAMPTFKBP1AEPHX1EPHX2ASAH1
SCHEMBL23123701 0.78 NAMPT (0.40) NAMPT
SCHEMBL24700458 0.77 STS (0.39) —
SCHEMBL24700279 0.74 NAMPT (0.54) NAMPTFKBP1AEPHX1EPHX2ASAH1
SCHEMBL23124031 0.74 EPHX2 (0.59) NAMPTFKBP1AEPHX1EPHX2ASAH1

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
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
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
CN-114901652-A Substituted saturated and unsaturated N-heterocyclic carboxamides and related compounds for the treatment of medical disorders 比亚尔R&D投资股份公司 2022-08-12 — — CN 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
WO-2021055630-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL- BIOTECH INVESTMENTS, INC. (US) 2021-03-25 — — 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 (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 NAMPT 92/4885FKBP1A 1624/4885EPHX1 643/4885

“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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