SCHEMBL3345888

SCHEMBL3345888

CC1(C)CCC(NC(=O)O)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.53
LMNA P02545 2/20 0.51
BLM P54132 1/20 0.51
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
POLB P06746 2/20 0.39
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CD38 P28907 1/20 0.36
EPHX1 P07099 5/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
APLNR P35414 1/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 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
SCHEMBL23573198 0.87 EPHX2 (0.42) EPHX2LMNABLMGRIN1GRIN2B
SCHEMBL1034667 0.84 GRIN1 (0.42) EPHX2LMNABLMGRIN1GRIN2B
SCHEMBL1723506 0.84 GRIN1 (0.42) EPHX2LMNABLMGRIN1GRIN2B
SCHEMBL2194478 0.84 GRIN1 (0.42) EPHX2LMNABLMGRIN1GRIN2B
SCHEMBL13035838 0.82 EPHX2 (0.58) EPHX2LMNABLMPOLBHPGD
Hydrochloric Acid SCHEMBL14738804 0.81 LMNA (0.41) EPHX2LMNABLMGRIN1GRIN2B
Hydrochloric Acid SCHEMBL30593922 0.80 EPHX2 (0.56) EPHX2LMNABLMPOLBHPGD
SCHEMBL11818061 0.80 EPHX2 (0.51) EPHX2LMNABLMPOLBHPGD
SCHEMBL26923418 0.79 GRIN1 (0.37) EPHX2LMNABLMGRIN1GRIN2B
SCHEMBL25230396 0.79 LMNA (0.40) EPHX2LMNABLMGRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023069708-A1 COMPOUNDS THAT MEDIATE PROTEIN DEGRADATION AND USES THEREOF MONTE ROSA THERAPEUTICS, INC. (US) 2023-04-27 WO disclosed
US-20180334436-A1 TETRAHYDROISOQUINOLINE DERIVATIVES VIIV HEALTHCARE UK LIMITED (GB) 2018-11-22 US disclosed
EP-3383866-A1 TETRAHYDROISOQUINOLINE DERIVATIVES ViiV Healthcare UK Limited (GB) 2018-10-10 EP disclosed
WO-2017093938-A1 TETRAHYDROISOQUINOLINE DERIVATIVES VIIV HEALTHCARE UK LIMITED (GB) 2017-06-08 WO disclosed
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC 2014-10-30 US disclosed
US-8822518-B2 Compounds as antagonists or inverse agonists of opioid receptors for treatment of addiction GLAXOSMITHKLINE LLC (US) 2014-09-02 US disclosed
US-20140100255-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC (US) 2014-04-10 US disclosed
US-8633175-B2 Compounds as antagonists or inverse agonists at opioid receptors GLAXOSMITHKLINE LLC (US) 2014-01-21 US disclosed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 US disclosed
EP-2054383-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SmithKline Beecham Corporation (US) 2009-05-06 EP disclosed
WO-2008021849-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 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-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 EPHX2 2604/4885LMNA 3847/4885BLM 4840/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 EPHX2 1937/4885LMNA 4435/4885BLM 4830/4885
US-20180334436-A1 TETRAHYDROISOQUINOLINE DERIVATIVES MAVS, EIF2AK2, SARS1 EPHX2 3287/4885LMNA 2034/4885BLM 72/4885
US-20140100255-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 EPHX2 1937/4885LMNA 4435/4885BLM 4830/4885

“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.