SCHEMBL5760804

SCHEMBL5760804

CN(C)CC#CC1CCC(N(C)c2ccc(Cl)nn2)CC1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.38
LSS P48449 3/20 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
SCHEMBL5760808 1.00 JAK2 (0.38) JAK2LSS
SCHEMBL5758584 0.91 JAK2 (0.36) JAK2LSS
SCHEMBL5758588 0.91 JAK2 (0.36) JAK2LSS
SCHEMBL5761534 0.87 JAK2 (0.38) JAK2LSS
SCHEMBL5761530 0.87 JAK2 (0.38) JAK2LSS
SCHEMBL5759918 0.87 LSS (0.40) JAK2LSS
SCHEMBL5759917 0.87 LSS (0.40) JAK2LSS
SCHEMBL5761214 0.86
SCHEMBL5761209 0.86
SCHEMBL5762525 0.85 LSS (0.44) JAK2LSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458683-B1 HETEROARYL-SUBSTITUTED AMINOCYCLOHEXANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-11-22 EP claimed
EP-1458683-A1 HETEROARYL-SUBSTITUTED AMINOCYCLOHEXANE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2004-09-22 EP claimed
US-20030186984-A1 Substituted cyclohexane derivatives HOFFMAN-LA ROCHE INC. 2003-10-02 US claimed
WO-2003053933-A1 HETEROARYL-SUBSTITUTED AMINOCYCLOHEXANE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2003-07-03 WO claimed
EP-1458683-B1 HETEROARYL-SUBSTITUTED AMINOCYCLOHEXANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-11-22 EP disclosed
US-7012077-B2 Substituted cyclohexane derivatives HOFFMANN-LA ROCHE INC. (US) 2006-03-14 US disclosed
EP-1458683-A1 HETEROARYL-SUBSTITUTED AMINOCYCLOHEXANE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2004-09-22 EP disclosed
US-20030186984-A1 Substituted cyclohexane derivatives HOFFMAN-LA ROCHE INC. 2003-10-02 US disclosed
WO-2003053933-A1 HETEROARYL-SUBSTITUTED AMINOCYCLOHEXANE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2003-07-03 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 (1 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-20030186984-A1 Substituted cyclohexane derivatives CYP51A1, LSS, CYP46A1 JAK2 3542/4885LSS 2/4885

“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.