SCHEMBL28838859

SCHEMBL28838859

CC1CN(C(=O)OC(C)(C)C)C(C)CC1N1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.40
▸ OPRK1 P41145 1/20 0.38
▸ EPHX1 P07099 1/20 0.36
▸ PREP P48147 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ NR1H2 P55055 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34

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
SCHEMBL23123383 0.80 TSHR (0.33) TSHR
SCHEMBL30773836 0.79 CHRM2 (0.40) HPGDPREPHSD17B10NR1H2CHRM2
SCHEMBL25536715 0.78 NR1H2 (0.42) HSD17B10NR1H2CHRM2CHRM1CHRM3
SCHEMBL24700395 0.77 HPGD (0.43) HPGDOPRK1EPHX1PREPHSD17B10
SCHEMBL5522877 0.77 HPGD (0.43) HPGDOPRK1EPHX1PREPHSD17B10
SCHEMBL24700280 0.77 HPGD (0.43) HPGDOPRK1EPHX1PREPHSD17B10
SCHEMBL24700170 0.77 HPGD (0.43) HPGDOPRK1EPHX1PREPHSD17B10
SCHEMBL16853219 0.77 CHRM2 (0.45) HSD17B10NR1H2CHRM2CHRM1CHRM3
SCHEMBL6460803 0.77 CHRM2 (0.45) HSD17B10NR1H2CHRM2CHRM1CHRM3
SCHEMBL12527655 0.77 CHRM2 (0.45) HSD17B10NR1H2CHRM2CHRM1CHRM3

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 3 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
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

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 HPGD 213/4885OPRK1 1403/4885EPHX1 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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