SCHEMBL232553

SCHEMBL232553

[c]1ccccc1OC1CCC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.33
PARP10 Q53GL7 1/20 0.33
PDE9A O76083 2/20 0.31
PDK2 Q15119 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL676963 0.96 PDE9A (0.34) HRH1PDE9APDK2PDE4APDE4B
SCHEMBL677024 0.94 PDE9A (0.36) HRH1PDE9APDK2PDE4APDE4B
SCHEMBL2921894 0.94 PDE9A (0.36) HRH1PDE9APDK2PDE4APDE4B
SCHEMBL233125 0.94 PDE9A (0.36) HRH1PDE9APDK2PDE4APDE4B
SCHEMBL709427 0.92 HRH1 (0.35) HRH1
SCHEMBL677022 0.90 HRH1 (0.32) HRH1
SCHEMBL4352771 0.89 HRH1 (0.30) HRH1
SCHEMBL6530733 0.86 PDE9A (0.35) PDE9APDE4APDE4BPDE4CPDE4D
SCHEMBL677299 0.86 PDE9A (0.30) PDE9A
SCHEMBL6532492 0.85

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399445-A2 SUBSTITUTED PYRROLOQUINOLINES AND PYRIDOQUINOLINES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-24 EP claimed
EP-1343791-A2 SUBSTITUTED TETRACYCLIC PYRIDOINDOLES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-09-17 EP claimed
WO-2002059129-A2 SUBSTITUTED TETRACYCLIC PYRIDOINDOLES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-01 WO claimed
WO-2002059124-A2 SUBSTITUTED PYRROLOQUINOLINES AND PYRIDOQUINOLINES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-01 WO claimed
US-11739070-B2 C5A receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2023-08-29 US disclosed
US-11685729-B2 C5a receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2023-06-27 US disclosed
US-20210122736-A1 C5A RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD. (CH) 2021-04-29 US disclosed
EP-3740476-A1 C5A RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2020-11-25 EP disclosed
EP-3740477-A1 C5A RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2020-11-25 EP disclosed
US-20200347029-A1 C5A RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD. (CH) 2020-11-05 US disclosed
CN-111683937-A C5a receptor modulators 爱杜西亚药品有限公司 2020-09-18 CN disclosed
CN-111615513-A C5a receptor modulators 爱杜西亚药品有限公司 2020-09-01 CN disclosed
EP-1343791-A2 SUBSTITUTED TETRACYCLIC PYRIDOINDOLES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-09-17 EP disclosed
US-20020193560-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY ASTELLAS PHARMA INC. (JP) 2002-12-19 US disclosed
WO-2002059129-A2 SUBSTITUTED TETRACYCLIC PYRIDOINDOLES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-01 WO disclosed
WO-2002059127-A2 PYRAZINOQUINOXALINE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-08-01 WO disclosed
EP-1189905-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES Bristol-Myers Squibb Pharma Company (US) 2002-03-27 EP disclosed
WO-2000077001-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES DU PONT PHARMACEUTICALS COMPANY (US) 2000-12-21 WO disclosed
EP-0941236-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-09-15 EP disclosed
WO-1998023637-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-04 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 (5 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-20200347029-A1 C5A RECEPTOR MODULATORS C5AR1, C3AR1, C5AR2 HRH1 128/4885PARP10 689/4885PDE9A 1400/4885
US-20210122736-A1 C5A RECEPTOR MODULATORS C5AR1, C3AR1, C5AR2 HRH1 119/4885PARP10 613/4885PDE9A 1608/4885
US-20020193560-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY NGLY1, CHIT1, MANBA HRH1 1377/4885PARP10 3260/4885PDE9A 1949/4885
US-11685729-B2 C5a receptor modulators C5AR1, C3AR1, C5AR2 HRH1 119/4885PARP10 613/4885PDE9A 1608/4885
US-11739070-B2 C5A receptor modulators C5AR1, C3AR1, C5AR2 HRH1 128/4885PARP10 689/4885PDE9A 1400/4885

“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.