SCHEMBL3681785

SCHEMBL3681785

OCCNCCC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.44
SIGMAR1 Q99720 3/20 0.41
BCHE P06276 1/20 0.40
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.36
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
ADH7 P40394 1/20 0.35
KDM1A O60341 2/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 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
Hydrochloric Acid SCHEMBL7729378 0.98 EPHX1 (0.43) EPHX1SIGMAR1BCHEHPGDCYP1A2
Hydrochloric Acid SCHEMBL6898174 0.98 EPHX1 (0.43) EPHX1SIGMAR1BCHEHPGDCYP1A2
Hydrochloric Acid SCHEMBL6731887 0.98 EPHX1 (0.43) EPHX1SIGMAR1BCHEHPGDCYP1A2
Hydrochloric Acid SCHEMBL6890147 0.95 EPHX1 (0.40) EPHX1SIGMAR1BCHEHPGDCYP1A2
SCHEMBL716430 0.88 SIGMAR1 (0.48) EPHX1SIGMAR1BCHEHPGDCYP1A2
SCHEMBL13912981 0.87 SIGMAR1 (0.42) EPHX1SIGMAR1BCHEHPGDCYP1A2
SCHEMBL1845767 0.87 SIGMAR1 (0.47) EPHX1SIGMAR1HPGDCYP1A2KDM1A
Hydrochloric Acid SCHEMBL4312730 0.85 SIGMAR1 (0.41) EPHX1SIGMAR1BCHEHPGDCYP1A2
SCHEMBL13912980 0.84 SIGMAR1 (0.39) EPHX1SIGMAR1BCHEHPGDCYP1A2
Hydrochloric Acid SCHEMBL4315081 0.83 SIGMAR1 (0.38) EPHX1SIGMAR1BCHEHPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183232-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-06-15 US disclosed
US-11548887-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-01-10 US disclosed
EP-2139837-A1 METHOD FOR PRODUCING FORMIC ACID BASF SE (DE) 2010-01-06 EP disclosed
WO-2008116799-A1 METHOD FOR PRODUCING FORMIC ACID BASF SE (DE) 2008-10-02 WO disclosed
EP-1144396-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS Bayer Corporation (US) 2001-10-17 EP disclosed
WO-2000042031-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS BAYER CORPORATION (US) 2000-07-20 WO disclosed
EP-0219765-B1 MAGNETIC-RECORDING SUPPORT WITH DISPERSING AGENTS HARDENABLE BY RADIATION Agfa-Gevaert AG (DE) 1989-06-28 EP disclosed
US-4687709-A UNSATURATED PHOSPHROIC ACID MIXTURES AGFA GEVAERT AKTIENGESELLSCHAFT (DE) 1987-08-18 US 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 (2 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-20230183232-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 EPHX1 2848/4885SIGMAR1 6/4885BCHE 2727/4885
US-11548887-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 EPHX1 2848/4885SIGMAR1 6/4885BCHE 2727/4885

“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.