SCHEMBL3205261

SCHEMBL3205261

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
SCHEMBL3208290 1.00 CYP2D6 (0.30) CYP2D6
SCHEMBL13319663 1.00 CYP2D6 (0.30) CYP2D6
SCHEMBL4606966 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 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1484967-B1 DIHYDRONEPETALACTONE AS INSECT REPELLENT DU PONT (US) 2012-10-24 — — EP claimed
US-8293217-B2 Hydrogenation of caryophellene E I DU PONT DE NEMOURS AND COMPANY (US) 2012-10-23 — — US claimed
EP-1855530-B1 COMPOSITIONS HAVING SUSTAINED-RELEASE INSECT REPELLENCY DU PONT (US) 2008-08-13 — — EP claimed
EP-1468064-B1 FRAGRANCE COMPOUND DU PONT (US) 2008-07-23 — — EP claimed
EP-1681925-A4 INSECT REPELLENT COMPOSITIONS COMPRISING DIHYDRONEPETALACTONE DU PONT (US) 2008-07-02 — — EP claimed
US-20070231357-A1 INSECT REPELLENT COMPOUND HALLAHAN DAVID L 2007-10-04 — — US claimed
US-7232844-B2 Insect repellent compounds E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-06-19 — — US claimed
US-20060201391-A1 Compositions having sustained-release insect repellency E. I. DU PONT DE NEMOURS AND COMPANY 2006-09-14 — — US claimed
EP-1681925-A1 INSECT REPELLENT COMPOSITIONS COMPRISING DIHYDRONEPETALACTONE E.I. du Pont de Nemours and Company (US) 2006-07-26 — — EP claimed
US-20050112166-A1 Insect repellent compounds HALLAHAN DAVID L (US) 2005-05-26 — — US claimed
WO-2005034626-A1 INSECT REPELLENT COMPOSITIONS COMPRISING DIHYDRONEPETALACTONE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2005-04-21 — — WO claimed
US-20050069568-A1 Insect repellent compounds 1,4Group, Inc. 2005-03-31 — — US claimed
US-20040127553-A1 Insect repellent compositions comprising dihydronepetalactone E. I. DU PONT DE NEMOURS AND COMPANY 2004-07-01 — — US claimed
US-20030235601-A1 Insect repellent compounds E. I. DU PONT DE NEMOURS AND COMPANY 2003-12-25 — — US claimed
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-20040127553-A1 Insect repellent compositions comprising dihydronepetalactone E. I. DU PONT DE NEMOURS AND COMPANY 2004-07-01 — — US disclosed
US-20030235601-A1 Insect repellent compounds E. I. DU PONT DE NEMOURS AND COMPANY 2003-12-25 — — US disclosed
WO-2003079786-A1 DIHYDRONEPETALACTONE AS INSECT REPELLENT E. I. DU PONT DE NEMOURS AND COMPANY (US) 2003-10-02 — — 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-20040127553-A1 Insect repellent compositions comprising dihydronepetalactone CAT, HNMT, MME CYP2D6 2091/4885
US-20070231357-A1 INSECT REPELLENT COMPOUND CAT, HNMT, MME CYP2D6 2290/4885
US-20050069568-A1 Insect repellent compounds CAT, HNMT, MME CYP2D6 2275/4885
US-20050112166-A1 Insect repellent compounds CAT, HNMT, MME CYP2D6 2275/4885
US-20030235601-A1 Insect repellent compounds CAT, HNMT, MME CYP2D6 2275/4885

“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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