SCHEMBL17040358

SCHEMBL17040358

CC(C)C(=O)N1CCc2cc(O)c(O)cc2C(c2ccccc2)C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 12/20 0.64
▸ HSD17B10 Q99714 5/20 0.64
▸ THPO P40225 3/20 0.64
▸ HIF1A Q16665 2/20 0.64
▸ MTOR P42345 2/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ DRD2 P14416 4/20 0.62
▸ KDM4E B2RXH2 3/20 0.62
▸ MAPT P10636 2/20 0.62
▸ BLM P54132 2/20 0.62
▸ PMP22 Q01453 2/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ CYP2D6 P10635 4/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ DRD5 P21918 3/20 0.53
▸ CYP1A2 P05177 3/20 0.53
▸ TSHR P16473 3/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53

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
SCHEMBL17037453 0.91 DRD1 (0.61) DRD1HSD17B10THPOHIF1AMTOR
SCHEMBL11528134 0.81 DRD1 (0.64) DRD1HSD17B10THPOHIF1AMTOR
SCHEMBL11712694 0.78 DRD1 (1.00) DRD1HSD17B10THPOHIF1AMTOR
Bromide SCHEMBL11707024 0.77 KDM4E (1.00) DRD1HSD17B10THPOHIF1AMTOR
SCHEMBL7625264 0.76 DRD1 (0.54) DRD1HSD17B10THPOHIF1AMTOR
Bromide SCHEMBL11539891 0.74 KDM4E (0.72) DRD1HSD17B10THPOHIF1AMTOR
Bromide SCHEMBL11721722 0.72 KDM4E (0.71) DRD1HSD17B10THPOHIF1AMTOR
SCHEMBL11157379 0.72 DRD1 (0.70) DRD1HSD17B10THPOHIF1AMTOR
Hydrochloric Acid SCHEMBL11463952 0.71 DRD1 (0.71) DRD1HSD17B10THPOHIF1AMTOR
Bromide SCHEMBL11712496 0.71 KDM4E (0.68) DRD1HSD17B10THPOHIF1AMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 — — US disclosed
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK CANADA INC. (CA) 2015-08-27 — — 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-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, TYRO3 DRD1 3704/4885HSD17B10 3844/4885THPO 464/4885

“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.

Send feedback