SCHEMBL23124014

SCHEMBL23124014

CC1(C)CC(N2CCCCC2)C(Cc2ccccc2)CN1C(=O)NCCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.43
▸ GAA P10253 3/20 0.42
▸ RAB9A P51151 6/20 0.41
▸ NPC1 O15118 5/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ EPHX2 P34913 3/20 0.40
▸ EPHX1 P07099 2/20 0.40
▸ TSHR P16473 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ FPR3 P25089 1/20 0.39
▸ FPR2 P25090 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL23123407 0.93 NAMPT (0.43) HPGDSMN1; SMN2EPHX2EPHX1FPR3
SCHEMBL23123350 0.89 MEN1 (0.40) HPGDPOLB
SCHEMBL23123605 0.85 KEAP1 (0.39) EPHX2EPHX1SIGMAR1
SCHEMBL24700458 0.80 STS (0.39) SIGMAR1
SCHEMBL23123701 0.74 NAMPT (0.40) —
SCHEMBL23124249 0.73 FKBP1A (0.48) EPHX2EPHX1
SCHEMBL23123358 0.73 CYP3A4 (0.52) HRH3GAARAB9ANPC1ALDH1A1
SCHEMBL29789645 0.72 FKBP1A (0.46) EPHX2EPHX1
SCHEMBL1576084 0.72 GAA (0.55) HRH3GAARAB9ANPC1ALDH1A1
SCHEMBL1575199 0.72 GAA (0.55) HRH3GAARAB9ANPC1ALDH1A1

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 HRH3 234/4885GAA 5/4885RAB9A 2991/4885

“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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