SCHEMBL15317752

SCHEMBL15317752

CC(C)(C)c1ccc(C2CCN(C3CCOCC3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.44
TP53 P04637 1/20 0.42
GRIN2B Q13224 2/20 0.42
TLR9 Q9NR96 4/20 0.41
TLR8 Q9NR97 4/20 0.41
TLR7 Q9NYK1 4/20 0.41
LIPE Q05469 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
HRH3 Q9Y5N1 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL16786041 0.89 SLC18A3 (0.50) SLC18A3TP53GRIN2BLIPECYP2D6
SCHEMBL16437277 0.86 TP53 (0.43) SLC18A3TP53GRIN2BTLR9TLR8
SCHEMBL16786040 0.86 SLC18A3 (0.56) SLC18A3TP53GRIN2BLIPECYP2D6
SCHEMBL4404291 0.86 SLC18A3 (0.60) SLC18A3TP53GRIN2BCYP2D6CYP2C19
SCHEMBL4402787 0.84 SLC6A2 (0.44) TP53LIPESIGMAR1HRH3MAPT
SCHEMBL17850380 0.83 SLC18A3 (0.53) SLC18A3GRIN2BTLR9TLR8TLR7
SCHEMBL31222854 0.80 SLC18A3 (0.47) SLC18A3GRIN2BTLR9TLR8TLR7
SCHEMBL4483396 0.79 SLC18A3 (0.69) SLC18A3GRIN2BCYP2D6CYP2C19SIGMAR1
SCHEMBL20234318 0.79 TP53 (0.42) SLC18A3TP53GRIN2BLIPECYP2D6
SCHEMBL4404601 0.76 CNR2 (0.61) TLR9TLR8TLR7LIPEMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES NFATC1, IL5, CD4 SLC18A3 4344/4885TP53 2899/4885GRIN2B 1531/4885

“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.