SCHEMBL5152829

SCHEMBL5152829

O=C(O)N1CCC(Oc2ccccn2)CC1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.63
KDM5A P29375 1/20 0.52
RIPK1 Q13546 1/20 0.52
RBP4 P02753 1/20 0.47
HRH3 Q9Y5N1 3/20 0.46
NAMPT P43490 4/20 0.44
SCN9A Q15858 1/20 0.44
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
GPR119 Q8TDV5 1/20 0.42

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
Hydrochloric Acid SCHEMBL23928369 0.99 EPHX2 (0.62) EPHX2KDM5ARIPK1RBP4HRH3
SCHEMBL30729521 0.92 KDM5A (0.58) EPHX2KDM5ARIPK1RBP4HRH3
SCHEMBL17869267 0.87 EPHX2 (0.62) EPHX2KDM5ARIPK1RBP4HRH3
SCHEMBL1740359 0.85 EPHX2 (0.50) EPHX2KDM5ARIPK1RBP4HRH3
SCHEMBL27164916 0.84 MGLL (0.50) EPHX2KDM5ARIPK1HRH3
SCHEMBL14413042 0.83 EPHX2 (0.65) EPHX2KDM5ARIPK1RBP4NAMPT
SCHEMBL6354166 0.82 EPHX2 (0.57) EPHX2RIPK1NAMPT
SCHEMBL6123517 0.82 KDM5A (0.60) EPHX2KDM5ARIPK1RBP4HRH3
SCHEMBL5155703 0.81 EPHX2 (0.57) EPHX2RBP4
SCHEMBL29749275 0.81 GPR119 (0.62) EPHX2KDM5ARBP4GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018030-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors VALO HEALTH, INC. (US) 2024-06-25 US disclosed
US-10934299-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors VALO EARLY DISCOVERY, INC. (US) 2021-03-02 US disclosed
EP-1347990-B1 Peptides having inhibiting activity to nitric oxyde production ASTELLAS PHARMA INC (JP) 2007-10-10 EP disclosed
US-20070225333-A1 3-Heterocyclyl-4-Phenyl-Triazole Derivatives as Inhibitors of the Vasopressin Via Receptor BRYANS JUSTIN S 2007-09-27 US disclosed
EP-1742932-A1 3-HETEROCYCLYL-4-PHENYL-TRIAZOLE DERIVATIVES AS INHIBITORS OF THE VASOPRESSIN V1A RECEPTOR Pfizer Limited (GB) 2007-01-17 EP disclosed
US-7129243-B2 Peptide compounds ASTELLAS PHARMA INC. (JP) 2006-10-31 US disclosed
WO-2005105779-A1 3-HETEROCYCLYL-4-PHENYL-TRIAZOLE DERIVATIVES AS INHIBITORS OF THE VASOPRESSIN V1A RECEPTOR PFIZER LIMITED (GB) 2005-11-10 WO disclosed
US-20040097425-A1 Peptide compounds ASTELLAS PHARMA INC. (JP) 2004-05-20 US disclosed
EP-1347990-A2 PEPTIDE MIT INHIBIERENDER AKTIVITÄT ZUR PRODUKTION VON STICKSTOFFMONOXID FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-10-01 EP disclosed
WO-2002055541-A2 PEPTIDES HAVING INHIBITING ACTIVITY ON THE PRODUCTION OF NITRIC OXIDE FUJISAWA PHARMACEUTICAL CO (JP) 2002-07-18 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-20070225333-A1 3-Heterocyclyl-4-Phenyl-Triazole Derivatives as Inhibitors of the Vasopressin Via Receptor AVPR2, RXFP3, AVPR1A EPHX2 1357/4885KDM5A 4820/4885RIPK1 1377/4885
US-12018030-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors USP7, UBA7, UBXN1 EPHX2 3043/4885KDM5A 549/4885RIPK1 598/4885
US-20040097425-A1 Peptide compounds VIP, NOS1, NOS3 EPHX2 3846/4885KDM5A 2908/4885RIPK1 4296/4885
US-10934299-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors USP7, UBA7, UBXN1 EPHX2 3043/4885KDM5A 549/4885RIPK1 598/4885

“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.