SCHEMBL15317675

SCHEMBL15317675

CC(C)(C)c1cccc(CCCN2CCOCC2)c1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.70
POLB P06746 1/20 0.61
HTT P42858 2/20 0.47
KMT2A Q03164 1/20 0.47
TRPV4 Q9HBA0 1/20 0.47
DRD2 P14416 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL24303472 0.96 SIGMAR1 (0.64) SIGMAR1POLBHTTTRPV4ALDH1A1
SCHEMBL15317686 0.92 SIGMAR1 (0.57) SIGMAR1POLBTRPV4SLC6A3
SCHEMBL15317676 0.87 SIGMAR1 (0.66) SIGMAR1DRD2SLC6A4SLC6A3KDM4E
SCHEMBL12585645 0.85 POLB (0.57) SIGMAR1POLBHTTKMT2ATRPV4
SCHEMBL270611 0.82 NCF1 (0.60) SIGMAR1HTTALDH1A1KDM4E
SCHEMBL12585640 0.80 SIGMAR1 (0.49) SIGMAR1POLBHTTKMT2ATRPV4
SCHEMBL13166766 0.80 L3MBTL1 (0.50) SIGMAR1POLBKMT2ATRPV4ALDH1A1
SCHEMBL13165290 0.78 ALDH1A1 (0.64) SIGMAR1HTTALDH1A1CYP3A4CYP2D6
SCHEMBL1651281 0.78 SIGMAR1 (0.67) SIGMAR1POLBHTTKMT2ADRD2
SCHEMBL3211606 0.78 SIGMAR1 (0.69) SIGMAR1POLBHTTKMT2ADRD2

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
US-20210308121-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2021-10-07 US disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 US disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 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 (2 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-20210308121-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 SIGMAR1 4271/4885POLB 2005/4885HTT 3295/4885
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES NFATC1, IL5, CD4 SIGMAR1 3728/4885POLB 2810/4885HTT 4607/4885

“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.