SCHEMBL5760848

SCHEMBL5760848

CN(c1ccc(Cl)nn1)C1CCC(C#CCN2CCCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.39
LMNA P02545 1/20 0.32
CHRM2 P08172 6/20 0.31
CHRM4 P08173 6/20 0.31
CHRM5 P08912 6/20 0.31
CHRM1 P11229 6/20 0.31
CHRM3 P20309 6/20 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
SCHEMBL5760845 1.00 JAK2 (0.39) JAK2LMNACHRM2CHRM4CHRM5
SCHEMBL5762505 0.99 JAK2 (0.38) JAK2LMNACHRM2CHRM4CHRM5
SCHEMBL5762502 0.99 JAK2 (0.38) JAK2LMNACHRM2CHRM4CHRM5
SCHEMBL5760513 0.84 JAK2 (0.40) JAK2LMNACHRM2CHRM4CHRM5
SCHEMBL5760519 0.84 JAK2 (0.40) JAK2LMNACHRM2CHRM4CHRM5
SCHEMBL5762955 0.84 BRD4 (0.34) JAK2LMNACHRM2CHRM4CHRM5
SCHEMBL5763089 0.84 BRD4 (0.34) JAK2LMNACHRM2CHRM4CHRM5
SCHEMBL5760808 0.82 JAK2 (0.38) JAK2
SCHEMBL5760804 0.82 JAK2 (0.38) JAK2
SCHEMBL5761530 0.82 JAK2 (0.38) JAK2

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 5 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 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 3542/4885LMNA 794/4885CHRM2 724/4885

“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.