SCHEMBL23123708

SCHEMBL23123708

CC(C)[C@H]1CN(C2CC2)CCN1C(=O)NCCCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.49
▸ FKBP1A P62942 2/20 0.48
▸ ASAH1 Q13510 7/20 0.46
▸ NAMPT P43490 1/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ DRD2 P14416 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ TPSAB1 Q15661 1/20 0.42
▸ OPRM1 P35372 1/20 0.42
▸ OPRL1 P41146 1/20 0.42
▸ EPHX1 P07099 1/20 0.42

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
SCHEMBL24700281 1.00 EPHX2 (0.49) EPHX2FKBP1AASAH1NAMPTKMT2A
SCHEMBL23123300 1.00 EPHX2 (0.49) EPHX2FKBP1AASAH1NAMPTKMT2A
SCHEMBL29795151 0.91 EPHX2 (0.44) EPHX2FKBP1AASAH1NAMPTDRD2
SCHEMBL23123818 0.82 IDH1 (0.43) EPHX2EPHX1
SCHEMBL24700753 0.82 IDH1 (0.43) EPHX2EPHX1
SCHEMBL23123481 0.75 NAMPT (0.49) EPHX2FKBP1AASAH1NAMPTKMT2A
SCHEMBL23123917 0.75 EPHX2 (0.54) EPHX2FKBP1AASAH1NAMPTEPHX1
SCHEMBL23123806 0.74 EPHX2 (0.53) EPHX2FKBP1AASAH1NAMPTEPHX1
SCHEMBL29795145 0.73 NR1H3 (0.39) KMT2ADRD2DRD3
SCHEMBL23123276 0.70 EPHX2 (0.60) EPHX2FKBP1AASAH1NAMPTEPHX1

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 EPHX2 787/4885FKBP1A 1624/4885ASAH1 8/4885

“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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