SCHEMBL873557

SCHEMBL873557

O=C(O)CN1CC[C@@H](O)C1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
OPRK1 P41145 4/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
KCNA3 P22001 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LTA4H P09960 1/20 0.36
CYP2D6 P10635 2/20 0.35

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
SCHEMBL167637 1.00 HSD17B10 (0.42) HSD17B10PDCD1CD274OPRK1OPRM1
SCHEMBL873652 1.00 HSD17B10 (0.42) HSD17B10PDCD1CD274OPRK1OPRM1
SCHEMBL29108930 0.88 ALDH1A1 (0.50) HSD17B10ALDH1A1
SCHEMBL17714037 0.86 HSD17B10 (0.45) HSD17B10ALDH1A1
SCHEMBL167007 0.86 HSD17B10 (0.50) HSD17B10KCNA3ALDH1A1
SCHEMBL2562032 0.81
SCHEMBL12635248 0.81 PDCD1 (0.38) PDCD1CD274OPRK1OPRM1OPRD1
SCHEMBL5270962 0.81 PDCD1 (0.38) PDCD1CD274OPRK1OPRM1OPRD1
SCHEMBL1006087 0.81 KDM4E (0.45) PDCD1CD274OPRK1OPRM1OPRD1
SCHEMBL5255963 0.81 KDM4E (0.45) PDCD1CD274OPRK1OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112538086-B Split compound of heterocyclic-triazole ring and indole carboxylic acid and salt thereof, preparation method and medical application thereof 承德医学院 2021-11-12 CN claimed
CN-112538086-A Split compound of heterocyclic-triazole ring and indole carboxylic acid and salt thereof, preparation method and medical application thereof 承德医学院 2021-03-23 CN claimed
CN-1777427-A Aminoheteroaryl compounds as protein kinase inhibitors SUGEN INC (US) 2006-05-24 CN claimed
WO-2024018403-A1 SUBSTITUTED IMIDAZOAMIDE COMPOUNDS, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-01-25 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-112538086-B Split compound of heterocyclic-triazole ring and indole carboxylic acid and salt thereof, preparation method and medical application thereof 承德医学院 2021-11-12 CN disclosed
CN-112538086-A Split compound of heterocyclic-triazole ring and indole carboxylic acid and salt thereof, preparation method and medical application thereof 承德医学院 2021-03-23 CN disclosed
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
US-20150087645-A1 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. 2015-03-26 US disclosed
US-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US disclosed
EP-2643000-A2 THERAPEUTIC PIPERAZINES Dart Neuroscience (Cayman) Ltd (KY) 2013-10-02 EP disclosed
US-8299055-B2 8-substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-10-30 US disclosed
US-8299055-B2 8-substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-10-30 US disclosed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO disclosed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 US disclosed
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 US disclosed
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 US disclosed
WO-2010038465-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF 旭化成ファーマ株式会社 (JP) 2010-04-08 WO disclosed
CN-1777427-A Aminoheteroaryl compounds as protein kinase inhibitors SUGEN INC (US) 2006-05-24 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 (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-20150087645-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D HSD17B10 2919/4885PDCD1 3658/4885CD274 4061/4885
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof RELA, NFKBIA, NFKB2 HSD17B10 2599/4885PDCD1 2927/4885CD274 3568/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D HSD17B10 2919/4885PDCD1 3658/4885CD274 4061/4885

“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.