SCHEMBL6887260

SCHEMBL6887260

CN(c1ccc(-c2ccccc2)cn1)C1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
HSP90AA1 P07900 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.40
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
JAK1 P23458 1/20 0.38
GABRA5 P31644 1/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
CSF1R P07333 1/20 0.37
FFAR2 O15552 1/20 0.36
BRAF P15056 1/20 0.36

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
SCHEMBL6884044 0.84 OPRM1 (0.47) USP30SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL6879170 0.80 GRM5 (0.43) USP30SMN1; SMN2LMNA
SCHEMBL14376014 0.79 LMNA (0.48) USP30SMN1; SMN2LMNANPC1RAB9A
SCHEMBL14241707 0.78 LMNA (0.47) USP30SMN1; SMN2LMNAALDH1A1OPRM1
SCHEMBL14241412 0.78 SMN1; SMN2 (0.47) USP30SMN1; SMN2LMNANPC1RAB9A
SCHEMBL14349672 0.75 LMNA (0.45) USP30SMN1; SMN2LMNAOPRM1OPRL1
SCHEMBL23932159 0.75 FYN (0.47) SMN1; SMN2ALDH1A1MITFPKM
SCHEMBL18694469 0.74 LMNA (0.50) USP30SMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL27302588 0.74 LMNA (0.44) USP30SMN1; SMN2LMNANPC1RAB9A
SCHEMBL27302585 0.74 JAK2 (0.48) USP30SMN1; SMN2LMNAJAK1JAK3

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
US-8389536-B2 Positive allosteric modulators (PAM) HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US disclosed
WO-2011051201-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) F. HOFFMANN-LA ROCHE AG (CH) 2011-05-05 WO disclosed
US-20110098313-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) HOFFMANN-LA ROCHE, INC. 2011-04-28 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-20110098313-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) GRM5, GRM1, GRM2 USP30 3950/4885SMN1; SMN2 3467/4885LMNA 4395/4885

“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.