SCHEMBL221538

SCHEMBL221538

C[C@@H]1CCCN(C(=O)OCc2ccccc2)[C@@H]1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.55
ACE2 Q9BYF1 3/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52
TSHR P16473 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
GFER P55789 1/20 0.50
CTRB1 P17538 1/20 0.50

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
SCHEMBL221539 1.00 PREP (0.55) PREPACE2NPC1RAB9ASMN1; SMN2
SCHEMBL221540 1.00 PREP (0.55) PREPACE2NPC1RAB9ASMN1; SMN2
SCHEMBL29302825 0.92 SMN1; SMN2 (0.56) PREPNPC1RAB9ASMN1; SMN2
SCHEMBL29302842 0.92 SMN1; SMN2 (0.56) PREPNPC1RAB9ASMN1; SMN2
SCHEMBL5740609 0.92 SMN1; SMN2 (0.56) PREPNPC1RAB9ASMN1; SMN2
SCHEMBL15503351 0.89 PREP (0.52) PREPACE2NPSR1TSHRL3MBTL1
SCHEMBL2737913 0.89 PREP (0.54) PREPACE2NPSR1TSHRL3MBTL1
SCHEMBL28644186 0.87 AGTR2 (0.54) PREPACE2NPC1RAB9ASMN1; SMN2
SCHEMBL16857371 0.86 SMN1; SMN2 (0.54) PREPACE2NPC1RAB9ASMN1; SMN2
SCHEMBL9132544 0.86 NPC1 (0.54) PREPACE2NPC1RAB9ASMN1; 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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12084437-B2 Halo-substituted piperidines as orexin receptor modulators ASTRAZENECA AB (SE) 2024-09-10 US disclosed
US-20220380359-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS NIUVERA BIO, INC. 2022-12-01 US disclosed
US-11434236-B2 Halo-substituted piperidines as orexin receptor modulators ASTRAZENECA AB (SE) 2022-09-06 US disclosed
EP-3414241-B1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2022-05-04 EP disclosed
CN-109219606-B Halogen substituted piperidines as orexin receptor modulators 阿斯利康(瑞典)有限公司 2021-10-01 CN disclosed
US-20210214348-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS NIUVERA BIO, INC. 2021-07-15 US disclosed
US-10894789-B2 Halo-substituted piperidines as orexin receptor modulators ASTRAZENECA AB (SE) 2021-01-19 US disclosed
US-20190135800-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS EOLAS THERAPEUTICS, INC. 2019-05-09 US disclosed
EP-3414241-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS Astrazeneca AB (SE) 2018-12-19 EP disclosed
US-20180298011-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2018-10-18 US disclosed
US-20140364433-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-12-11 US disclosed
US-20140364433-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-12-11 US disclosed
US-20140364433-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-12-11 US disclosed
US-8809330-B2 Pyrazolo[1,5-A]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2014-08-19 US disclosed
US-20140154240-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2014-06-05 US disclosed
US-20140072554-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2014-03-13 US disclosed
US-8486938-B2 Pyrazolo[1,5-a]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2013-07-16 US disclosed
EP-2585467-A1 PYRAZOLO [1, 5 -A]PYRIMIDINES AS ANTIVIRAL AGENTS Gilead Sciences, Inc. (US) 2013-05-01 EP disclosed
US-20120003215-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-01-05 US disclosed
WO-2011163518-A1 PYRAZOLO [1, 5 -A] PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2011-12-29 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 (11 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-10894789-B2 Halo-substituted piperidines as orexin receptor modulators HCRTR2, HCRTR1, OPRD1 PREP 434/4885ACE2 1208/4885NPC1 1644/4885
US-20140364433-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OPRL1 PREP 131/4885ACE2 599/4885NPC1 1541/4885
US-20140154240-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS PREP 672/4885ACE2 22/4885NPC1 994/4885
US-11434236-B2 Halo-substituted piperidines as orexin receptor modulators HCRTR2, HCRTR1, OPRD1 PREP 434/4885ACE2 1208/4885NPC1 1644/4885
US-20190135800-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OPRD1 PREP 434/4885ACE2 1208/4885NPC1 1644/4885
US-20120003215-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS PREP 672/4885ACE2 22/4885NPC1 994/4885
US-20220380359-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OPRD1 PREP 434/4885ACE2 1208/4885NPC1 1644/4885
US-20140072554-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS PREP 672/4885ACE2 22/4885NPC1 994/4885
US-12084437-B2 Halo-substituted piperidines as orexin receptor modulators HCRTR2, HCRTR1, OPRD1 PREP 434/4885ACE2 1208/4885NPC1 1644/4885
US-20210214348-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OPRD1 PREP 434/4885ACE2 1208/4885NPC1 1644/4885
US-20180298011-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS PREP 672/4885ACE2 22/4885NPC1 994/4885

“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.