SCHEMBL4606966

SCHEMBL4606966

C[C@@H]1COC(=O)[C@H]2[C@H]1CC[C@@H]2C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 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
SCHEMBL13077456 1.00 CYP2D6 (0.30) CYP2D6
SCHEMBL3205261 1.00 CYP2D6 (0.30) CYP2D6
SCHEMBL3208290 1.00 CYP2D6 (0.30) CYP2D6
SCHEMBL13319663 1.00 CYP2D6 (0.30) CYP2D6
SCHEMBL4636087 1.00 CYP2D6 (0.30) CYP2D6
SCHEMBL14510216 1.00 CYP2D6 (0.30) CYP2D6
SCHEMBL5073716 1.00 CYP2D6 (0.30) CYP2D6
SCHEMBL4637500 1.00 CYP2D6 (0.30) CYP2D6
SCHEMBL14401969 1.00 CYP2D6 (0.30) CYP2D6
SCHEMBL4607517 1.00 CYP2D6 (0.30) CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9521844-B2 Solvent addition and removal in the hydrogenation of catmint oil E I DU PONT DE NEMOURS AND COMPANY (US) 2016-12-20 — — US disclosed
US-9521844-B2 Solvent addition and removal in the hydrogenation of catmint oil E I DU PONT DE NEMOURS AND COMPANY (US) 2016-12-20 — — US disclosed
US-9314021-B2 Formulations containing insect repellent compounds E I DU PONT DE NEMOURS AND COMPANY (US) 2016-04-19 — — US disclosed
US-9314021-B2 Formulations containing insect repellent compounds E I DU PONT DE NEMOURS AND COMPANY (US) 2016-04-19 — — US disclosed
US-20150164073-A1 HYDROGENATED CATMINT OIL DU PONT (US) 2015-06-18 — — US disclosed
US-20150164073-A1 HYDROGENATED CATMINT OIL DU PONT (US) 2015-06-18 — — US disclosed
US-20150087698-A1 SOLVENT ADDITION AND REMOVAL IN THE HYDROGENATION OF CATMINT OIL E I DU PONT DE NEMOURS AND COMPANY (US) 2015-03-26 — — US disclosed
US-20150087698-A1 SOLVENT ADDITION AND REMOVAL IN THE HYDROGENATION OF CATMINT OIL E I DU PONT DE NEMOURS AND COMPANY (US) 2015-03-26 — — US disclosed
US-20140288167-A1 Formulations Containing Insect Repellent Compounds E. I. DU PONT DE NEMOURS AND COMPANY (US) 2014-09-25 — — US disclosed
US-20140288167-A1 Formulations Containing Insect Repellent Compounds E. I. DU PONT DE NEMOURS AND COMPANY (US) 2014-09-25 — — US disclosed
US-7547793-B2 Method for making insect repellent composition E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-06-16 — — US disclosed
US-7435851-B2 Puleganic amides E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-10-14 — — US disclosed
EP-1468064-B1 FRAGRANCE COMPOUND DU PONT (US) 2008-07-23 — — EP disclosed
US-20070231357-A1 INSECT REPELLENT COMPOUND HALLAHAN DAVID L 2007-10-04 — — US disclosed
US-7232844-B2 Insect repellent compounds E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-06-19 — — US disclosed
EP-1490351-B1 PRODUCTION OF DIHYDRONEPETALACTONE BY HYDROGENATION OF NEPETALACTONE DU PONT (US) 2007-06-06 — — EP disclosed
US-20070077262-A1 Puleganic acid insect repellents E. I. DU PONT DE NEMOURS AND COMPANY 2007-04-05 — — US disclosed
US-20070077262-A1 Puleganic acid insect repellents E. I. DU PONT DE NEMOURS AND COMPANY 2007-04-05 — — US disclosed
US-20070077263-A1 N-Substituted or N,N-disubstituted-2-isopropyl-5-methylcyclopentanecarboxamides, e.g., N,N-diethyl- or N-benzyl-; useful as a topical treatment for skin, such as a repellant for insects and arthropods E. I. DU PONT DE NEMOURS AND COMPANY 2007-04-05 — — US disclosed
US-20070077263-A1 N-Substituted or N,N-disubstituted-2-isopropyl-5-methylcyclopentanecarboxamides, e.g., N,N-diethyl- or N-benzyl-; useful as a topical treatment for skin, such as a repellant for insects and arthropods E. I. DU PONT DE NEMOURS AND COMPANY 2007-04-05 — — 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 (6 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-20140288167-A1 Formulations Containing Insect Repellent Compounds CAT, HNMT, MME CYP2D6 2121/4885
US-20150164073-A1 HYDROGENATED CATMINT OIL CAT, HNMT, HHAT CYP2D6 1414/4885
US-20070231357-A1 INSECT REPELLENT COMPOUND CAT, HNMT, MME CYP2D6 2290/4885
US-20150087698-A1 SOLVENT ADDITION AND REMOVAL IN THE HYDROGENATION OF CATMINT OIL CAT, HNMT, DLST CYP2D6 1444/4885
US-20070077263-A1 N-Substituted or N,N-disubstituted-2-isopropyl-5-methylcyclopentanecarboxamides, e.g., N,N-diethyl- or N-benzyl-; useful as a topical treatment for skin, such as a repellant for insects and arthropods CUTA, PNN, NAPEPLD CYP2D6 1884/4885
US-20070077262-A1 Puleganic acid insect repellents CUTA, PPT1, PCCA CYP2D6 3983/4885

“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.

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