SCHEMBL20522096

SCHEMBL20522096

CN(C)CC1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ATM Q13315 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ PDE8B O95263 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ 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
SCHEMBL1401178 1.00 HSD17B10 (0.49) HSD17B10SMN1; SMN2ATMALDH1A1HPGD
SCHEMBL18497643 0.85 ATM (0.44) HSD17B10SMN1; SMN2ATMALDH1A1PDE8B
SCHEMBL18497645 0.85 ATM (0.44) HSD17B10SMN1; SMN2ATMALDH1A1PDE8B
SCHEMBL34473181 0.85 HSD17B10 (0.47) HSD17B10SMN1; SMN2ATMALDH1A1HPGD
SCHEMBL190268 0.85 HSD17B10 (0.41) HSD17B10SMN1; SMN2ATMALDH1A1PDE8B
SCHEMBL31509972 0.84 HSD17B10 (0.42) HSD17B10SMN1; SMN2ATMALDH1A1HPGD
SCHEMBL1598305 0.84 CYP2D6 (0.44) HSD17B10SMN1; SMN2ATMALDH1A1PDE8B
SCHEMBL1598307 0.84 CYP2D6 (0.44) HSD17B10SMN1; SMN2ATMALDH1A1PDE8B
SCHEMBL29778252 0.83 HSD17B10 (0.41) HSD17B10SMN1; SMN2ATMHPGDEPHX1
SCHEMBL20182480 0.83 HSD17B10 (0.42) HSD17B10SMN1; SMN2ATMALDH1A1PDE8B

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110475777-B Novel pyrido [2,3-b ] indole compounds for the treatment and prevention of bacterial infections 豪夫迈·罗氏有限公司 2022-04-15 — — CN disclosed
EP-3601282-B1 NOVEL PYRIDO[2,3-B]INDOLE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN LA ROCHE (CH) 2021-07-21 — — EP disclosed
US-20200339603-A1 Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection HOFFMANN-LA ROCHE INC. (US) 2020-10-29 — — US disclosed
US-10662203-B2 Pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection HOFFMANN-LA ROCHE INC. (US) 2020-05-26 — — US disclosed
EP-3601282-A1 NOVEL PYRIDO[2,3-B]INDOLE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION H. Hoffnabb-La Roche Ag (CH) 2020-02-05 — — EP disclosed
US-20180327425-A1 Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection HOFFMANN-LA ROCHE INC. (US) 2018-11-15 — — US disclosed
WO-2018178041-A1 Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection F. HOFFMANN-LA ROCHE AG (CH) 2018-10-04 — — 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 (3 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-20180327425-A1 Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection IDO1, IDO2, TDO2 HSD17B10 2741/4885SMN1; SMN2 4094/4885ATM 3884/4885
US-20200339603-A1 Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection IDO1, IDO2, TDO2 HSD17B10 2741/4885SMN1; SMN2 4094/4885ATM 3884/4885
US-10662203-B2 Pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection IDO1, IDO2, KYNU HSD17B10 2701/4885SMN1; SMN2 3572/4885ATM 4029/4885

“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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