SCHEMBL1893597

SCHEMBL1893597

CC(C)NC(=O)c1ccc(OCCn2nc(C(F)(F)F)c3c2CCCC3)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 3/20 0.49
TP53 P04637 3/20 0.48
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 3/20 0.47
HRH3 Q9Y5N1 1/20 0.47
GAA P10253 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.46
CYP3A4 P08684 1/20 0.46
PTGER4 P35408 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL1009404 0.88 SMN1; SMN2 (0.55) MAPTSMN1; SMN2CYP1A2CYP2C19TSHR
SCHEMBL1009492 0.87 MAPT (0.50) MAPTSMN1; SMN2CYP1A2CYP2C19CYP2D6
SCHEMBL1007194 0.87 ALDH1A1 (0.56) MAPTSMN1; SMN2CYP1A2CYP2C19TSHR
SCHEMBL1897503 0.87 CYP1A2 (0.51) MAPTSMN1; SMN2CYP1A2CYP2C19CYP2D6
SCHEMBL1006154 0.86 POLQ (0.47) MAPTSMN1; SMN2CYP1A2CYP2C19CYP2D6
SCHEMBL1007223 0.86 MAPT (0.53) MAPTSMN1; SMN2CYP1A2CYP2C19TSHR
SCHEMBL12953483 0.85 HRH3 (0.48) MAPTSMN1; SMN2TP53HRH3NPSR1
SCHEMBL1007672 0.85 GRIA2 (0.61) MAPTSMN1; SMN2CYP1A2CYP2C19CYP2D6
SCHEMBL1894891 0.84 LMNA (0.50) MAPTSMN1; SMN2CYP1A2CYP2C19CYP2D6
SCHEMBL1894551 0.84 SMN1; SMN2 (0.56) MAPTSMN1; SMN2CYP1A2CYP2C19CYP2D6

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-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 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-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 MAPT 4623/4885SMN1; SMN2 3616/4885CYP1A2 2476/4885

“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.