SCHEMBL15317686

SCHEMBL15317686

CC(C)(C)c1cccc(CCN2CCOCC2)c1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.57
POLB P06746 1/20 0.49
HRH3 Q9Y5N1 2/20 0.48
SLC6A3 Q01959 1/20 0.44
TRPV4 Q9HBA0 1/20 0.44
NCF1 P14598 1/20 0.43
LMNA P02545 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
CDK1 P06493 1/20 0.43
KDR P35968 1/20 0.43
HTR1A P08908 1/20 0.42

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
SCHEMBL15317675 0.92 SIGMAR1 (0.70) SIGMAR1POLBSLC6A3TRPV4
SCHEMBL24303472 0.90 SIGMAR1 (0.64) SIGMAR1POLBTRPV4
SCHEMBL15317682 0.86 HRH3 (0.64) SIGMAR1HRH3SLC6A3
SCHEMBL6510417 0.85 SIGMAR1 (0.58) SIGMAR1POLBTRPV4LMNAHTR1A
SCHEMBL270611 0.85 NCF1 (0.60) SIGMAR1HRH3NCF1LMNA
SCHEMBL13166766 0.82 L3MBTL1 (0.50) SIGMAR1POLBTRPV4LMNA
SCHEMBL23805529 0.81 SIGMAR1 (0.82) SIGMAR1POLBHRH3CDK1KDR
SCHEMBL25530953 0.81 ACHE (0.63) SIGMAR1HRH3
SCHEMBL12021982 0.80 HRH3 (0.73) SIGMAR1POLBHRH3SLC6A3
SCHEMBL25541600 0.80 SPHK1 (0.50) SIGMAR1HRH3HTR1A

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-20220119411-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2022-04-21 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-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES NFATC1, IL5, CD4 SIGMAR1 3728/4885POLB 2810/4885HRH3 533/4885
US-20220119411-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF IL2, IL5, TSLP SIGMAR1 3812/4885POLB 3380/4885HRH3 1093/4885

“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.