SCHEMBL1373550

SCHEMBL1373550

O=C1CCCC(=O)C12CCNCC2

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.38
CRBN Q96SW2 2/20 0.38
NEK2 P51955 1/20 0.35
BACE1 P56817 1/20 0.32
HTR2A P28223 2/20 0.31

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
SCHEMBL1029904 0.90 OPRM1 (0.41) OPRM1CRBNNEK2BACE1HTR2A
SCHEMBL6614335 0.86 OPRM1 (0.35) OPRM1CRBNNEK2BACE1HTR2A
SCHEMBL29749786 0.86 HTR2A (0.42) OPRM1CRBNBACE1HTR2A
SCHEMBL11866693 0.76 CRBN (0.36) CRBN
SCHEMBL6757690 0.76 CRBN (0.36) CRBN
SCHEMBL6757693 0.76 CRBN (0.36) CRBN
SCHEMBL1903325 0.75 CRBN (0.33) CRBN
SCHEMBL29749693 0.75 HTR2A (0.45) OPRM1CRBNNEK2BACE1HTR2A
SCHEMBL2169285 0.73 CRBN (0.41) CRBNNEK2
SCHEMBL22495622 0.71 CRBN (0.39) CRBNNEK2

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
US-9453005-B2 Inhibition of influenza M2 proton channel THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-09-27 US disclosed
EP-2086925-B1 1,4 DIAMINO BICYCLIC RETIGABINE ANALOGUES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INT (US) 2011-12-21 EP disclosed
US-20110288111-A1 INHIBITION OF INFLUENZA M2 PROTON CHANNEL THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-11-24 US disclosed
US-8030518-B2 E.g., N-(5-(4-fluorophenylamino)-1,3-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-3,3-dimethylbutanamide; treating or preventing neuropathic and chronic pain, bipolar disorder, migraine, epilepsy, a seizure or a disorder characterized by a seizure VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2011-10-04 US disclosed
US-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE AGOURON PHARMACEUTICALS, INC. 2010-10-07 US disclosed
EP-2086925-A1 1,4 DIAMINO BICYCLIC RETIGABINE ANALOGUES AS POTASSIUM CHANNEL MODULATORS Valeant Pharmaceuticals International (US) 2009-08-12 EP disclosed
EP-2051966-A2 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE Pfizer Products Inc. (US) 2009-04-29 EP disclosed
WO-2009007814-A1 INHIBITORS OF CARBONIC ANHYDRASE PFIZER INC. (US) 2009-01-15 WO disclosed
US-20080234334-A1 1,4 DIAMINO BICYCLIC RETIGABINE ANALOGUES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2008-09-25 US disclosed
WO-2008066900-A1 1,4 DIAMINO BICYCLIC RETIGABINE ANALOGUES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2008-06-05 WO disclosed
WO-2008017932-A2 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE PFIZER PRODUCTS INC. (US) 2008-02-14 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 (3 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-20080234334-A1 1,4 DIAMINO BICYCLIC RETIGABINE ANALOGUES AS POTASSIUM CHANNEL MODULATORS KCNB2, KCNB1, KCNA1 OPRM1 1076/4885CRBN 3194/4885NEK2 1341/4885
US-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE CA2, CA7, CA9 OPRM1 4177/4885CRBN 2172/4885NEK2 3184/4885
US-20110288111-A1 INHIBITION OF INFLUENZA M2 PROTON CHANNEL HVCN1, TRPM2, ASIC1 OPRM1 339/4885CRBN 4428/4885NEK2 2576/4885

“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.