SCHEMBL3587948

SCHEMBL3587948

Cc1cncn1C(C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.37
GABRB2 P47870 4/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
LMNA P02545 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ABCB11 O95342 1/20 0.37
GABRA2 P47869 1/20 0.37
TDP1 Q9NUW8 3/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.33
NMT1 P30419 1/20 0.33
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
XBP1 P17861 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL7336858 0.80 GABRA1 (0.32) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL23867483 0.76 ALDH1A1 (0.44) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL31618392 0.76 CNR2 (0.34) KMT2AALDH1A1
SCHEMBL27316357 0.75 ALDH1A1 (0.38) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL3587303 0.72 TDP1 (0.34) LMNATDP1KMT2AALDH1A1MAPK1
SCHEMBL7654635 0.70 PIM1 (0.39) CYP11B2
SCHEMBL908755 0.70 KMT2A (0.35) LMNATDP1KMT2AALDH1A1POLB
SCHEMBL5155517 0.68 ELANE (0.33)
SCHEMBL14247837 0.68 CYP17A1 (0.43) CYP3A4TDP1KMT2AALDH1A1HTT
SCHEMBL9963180 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 GABRA1 333/4885GABRB2 436/4885CYP1A2 2025/4885

“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.