SCHEMBL17714481

SCHEMBL17714481

Cc1cccc2ccc(N3CC[C@H](C(=O)O)C(C)(C)C3)nc12

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 9/20 0.73
▸ PDE10A Q9Y233 2/20 0.44
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ USP2 O75604 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ L3MBTL1 Q9Y468 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
SCHEMBL17714315 1.00 PTGES (0.73) PTGESPDE10AKDM4EALDH1A1SMN1; SMN2
SCHEMBL19542568 0.88 PTGES (0.69) PTGESPDE10AKDM4EALDH1A1SMN1; SMN2
SCHEMBL17723498 0.88 PTGES (0.72) PTGESPDE10AKDM4EALDH1A1SMN1; SMN2
SCHEMBL17714466 0.88 PTGES (0.67) PTGESPDE10AGAAHTR3A
SCHEMBL17723452 0.85 PTGES (0.79) PTGESPDE10AKDM4EALDH1A1GAA
SCHEMBL17714465 0.85 PTGES (0.79) PTGESPDE10AKDM4EALDH1A1GAA
SCHEMBL17714482 0.85 PTGES (0.79) PTGESPDE10AKDM4EALDH1A1GAA
SCHEMBL17714467 0.85 PTGES (0.54) PTGESKDM4EALDH1A1GAAUSP2
SCHEMBL17723493 0.84 PTGES (1.00) PTGESPDE10A
SCHEMBL20484799 0.84 PTGES (1.00) PTGESPDE10A

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-107074829-B For inhibiting microsomal prostaglandin E2Novel methyl-piperidine compounds of synthetase-1 伊莱利利公司 2020-11-13 — — CN disclosed
EP-3221304-B1 NOVEL CARBOXYLIC ACID COMPOUNDS USEFUL FOR INHIBITING MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 LILLY CO ELI (US) 2019-07-24 — — EP disclosed
US-20180251446-A1 Novel Carboxylic Acid Compounds Useful for Inhibiting Microsomal Prostaglandin E2 Synthase-1 LILLY CO ELI (US) 2018-09-06 — — US disclosed
US-20180250282-A1 Novel Methyl-Piperidine Compounds Useful for Inhibiting Microsomal Prostaglandin E2 Synthase-1 LILLY CO ELI (US) 2018-09-06 — — US disclosed
US-9969714-B2 Carboxylic acid compounds useful for inhibiting microsomal prostaglandin E2 synthase-1 ELI LILLY AND COMPANY (US) 2018-05-15 — — US disclosed
US-9969714-B2 Carboxylic acid compounds useful for inhibiting microsomal prostaglandin E2 synthase-1 ELI LILLY AND COMPANY (US) 2018-05-15 — — US disclosed
US-9969714-B2 Carboxylic acid compounds useful for inhibiting microsomal prostaglandin E2 synthase-1 ELI LILLY AND COMPANY (US) 2018-05-15 — — US disclosed
US-9962375-B2 Methyl-piperidine compounds useful for inhibiting microsomal prostaglandin E2 synthase-1 ELI LILLY AND COMPANY (US) 2018-05-08 — — US disclosed
US-9962375-B2 Methyl-piperidine compounds useful for inhibiting microsomal prostaglandin E2 synthase-1 ELI LILLY AND COMPANY (US) 2018-05-08 — — US disclosed
US-9962375-B2 Methyl-piperidine compounds useful for inhibiting microsomal prostaglandin E2 synthase-1 ELI LILLY AND COMPANY (US) 2018-05-08 — — US disclosed
US-20170326128-A1 Novel Methyl-Piperidine Compounds Useful for Inhibiting Microsomal Prostaglandin E2 Synthase-1 ELI LILLY AND COMPANY 2017-11-16 — — US disclosed
US-20170326128-A1 Novel Methyl-Piperidine Compounds Useful for Inhibiting Microsomal Prostaglandin E2 Synthase-1 ELI LILLY AND COMPANY 2017-11-16 — — US disclosed
US-20170326128-A1 Novel Methyl-Piperidine Compounds Useful for Inhibiting Microsomal Prostaglandin E2 Synthase-1 ELI LILLY AND COMPANY 2017-11-16 — — US disclosed
US-20170313679-A1 Novel Carboxylic Acid Compounds Useful for Inhibiting Microsomal Prostaglandin E2 Synthase-1 ELI LILLY AND COMPANY 2017-11-02 — — US disclosed
US-20170313679-A1 Novel Carboxylic Acid Compounds Useful for Inhibiting Microsomal Prostaglandin E2 Synthase-1 ELI LILLY AND COMPANY 2017-11-02 — — US disclosed
US-20170313679-A1 Novel Carboxylic Acid Compounds Useful for Inhibiting Microsomal Prostaglandin E2 Synthase-1 ELI LILLY AND COMPANY 2017-11-02 — — US disclosed
EP-3230278-A1 NOVEL METHYL-PIPERIDINE COMPOUNDS USEFUL FOR INHIBITING MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 Eli Lilly and Company (US) 2017-10-18 — — EP disclosed
WO-2016069376-A1 NOVEL METHYL-PIPERIDINE COMPOUNDS USEFUL FOR INHIBITING MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 ELI LILLY AND COMPANY (US) 2016-05-06 — — WO disclosed
WO-2016069376-A1 NOVEL METHYL-PIPERIDINE COMPOUNDS USEFUL FOR INHIBITING MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 ELI LILLY AND COMPANY (US) 2016-05-06 — — 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 (4 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-20170313679-A1 Novel Carboxylic Acid Compounds Useful for Inhibiting Microsomal Prostaglandin E2 Synthase-1 PTGS1, PTGES, PTGS2 PTGES 2/4885PDE10A 784/4885KDM4E 2912/4885
US-20170326128-A1 Novel Methyl-Piperidine Compounds Useful for Inhibiting Microsomal Prostaglandin E2 Synthase-1 PTGS1, PTGES, PTGER1 PTGES 2/4885PDE10A 1605/4885KDM4E 581/4885
US-20180251446-A1 Novel Carboxylic Acid Compounds Useful for Inhibiting Microsomal Prostaglandin E2 Synthase-1 PTGS1, PTGES, PTGS2 PTGES 2/4885PDE10A 784/4885KDM4E 2912/4885
US-20180250282-A1 Novel Methyl-Piperidine Compounds Useful for Inhibiting Microsomal Prostaglandin E2 Synthase-1 PTGS1, PTGES, PTGER1 PTGES 2/4885PDE10A 1915/4885KDM4E 506/4885

“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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