SCHEMBL24700253

SCHEMBL24700253

CC1C(N2CCCCC2)CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
HPGD P15428 1/20 0.44
OPRK1 P41145 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
UCHL1 P09936 1/20 0.40
EPHX1 P07099 1/20 0.40

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
SCHEMBL33525545 0.91 HPGD (0.43) HSD17B10HPGDOPRK1NPC1SMN1; SMN2
SCHEMBL33525876 0.88 HSD17B10 (0.41) HSD17B10HPGDOPRK1NPC1SMN1; SMN2
SCHEMBL12716281 0.81 HSD17B10 (0.51) HSD17B10HPGDNPC1ALDH1A1LMNA
SCHEMBL17664708 0.81 HSD17B10 (0.51) HSD17B10HPGDNPC1ALDH1A1LMNA
SCHEMBL20281885 0.81 HSD17B10 (0.46) HSD17B10HPGDNPC1ALDH1A1LMNA
SCHEMBL12524284 0.81 HSD17B10 (0.46) HSD17B10HPGDNPC1ALDH1A1LMNA
SCHEMBL27158844 0.81 HSD17B10 (0.46) HSD17B10HPGDNPC1ALDH1A1LMNA
SCHEMBL14664469 0.80 HSD17B10 (0.47) HSD17B10HPGDNPC1ALDH1A1SMN1; SMN2
SCHEMBL31085807 0.79 HSD17B10 (0.36) HSD17B10HPGDOPRK1NPC1SMN1; SMN2
SCHEMBL31085624 0.79 HSD17B10 (0.36) HSD17B10HPGDOPRK1NPC1SMN1; SMN2

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
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

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 HSD17B10 966/4885HPGD 213/4885OPRK1 1403/4885

“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.