SCHEMBL5762610

SCHEMBL5762610

CN(C)CC#C[C@H]1CC[C@H](N(C)c2ccc(Br)cn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.42
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
USP30 Q70CQ3 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CACNA1H O95180 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 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
SCHEMBL5762607 1.00 GBA1 (0.42) GBA1JAK2JAK1USP30LMNA
SCHEMBL5763448 0.88 GBA1 (0.39) GBA1JAK2JAK1USP30LMNA
SCHEMBL5763442 0.88 GBA1 (0.39) GBA1JAK2JAK1USP30LMNA
SCHEMBL5758496 0.86 LSS (0.39) GBA1JAK2JAK1
SCHEMBL5758494 0.86 LSS (0.39) GBA1JAK2JAK1
SCHEMBL5760257 0.83 JAK2 (0.35) JAK2JAK1
SCHEMBL5760253 0.83 JAK2 (0.35) JAK2JAK1
SCHEMBL5763243 0.83 CCNA2 (0.46) JAK2JAK1USP30CCNA2CDK2
SCHEMBL5763250 0.83 CCNA2 (0.46) JAK2JAK1USP30CCNA2CDK2
SCHEMBL17316407 0.82 GBA1 (0.50) GBA1JAK2JAK1USP30LMNA

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 3 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
US-20030186984-A1 Substituted cyclohexane derivatives HOFFMAN-LA ROCHE INC. 2003-10-02 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 (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 GBA1 475/4885JAK2 3542/4885JAK1 2715/4885

“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.