SCHEMBL1611314

SCHEMBL1611314

COc1ccc(-n2nccc2NC(=O)CCc2nnnn2-c2cccc3ccccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
HSD17B10 Q99714 1/20 0.44
HSD11B1 P28845 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NTRK1 P04629 1/20 0.40
NTRK2 Q16620 1/20 0.40
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 1/20 0.40
HTT P42858 2/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TSHR P16473 2/20 0.39

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
SCHEMBL1493310 0.88 ALDH1A1 (0.42) ALDH1A1HSD17B10HSD11B1LMNAMAPT
SCHEMBL1610263 0.84 HSD11B1 (0.42) ALDH1A1HSD11B1CYP1A2CYP3A4CYP2D6
SCHEMBL1493438 0.84 ALDH1A1 (0.61) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL1612138 0.80 HTT (0.41) ALDH1A1HSD11B1CYP1A2CYP3A4CYP2D6
SCHEMBL1493414 0.75 HSD11B1 (0.45) ALDH1A1HSD11B1LMNAMAPTSMN1; SMN2
SCHEMBL13547706 0.74 RORC (0.46) ALDH1A1HSD17B10HSD11B1CYP1A2CYP2C19
SCHEMBL13547674 0.73 HSD11B1 (0.53) ALDH1A1HSD17B10HSD11B1LMNAMAPT
SCHEMBL1611680 0.72 ALDH1A1 (0.58) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL1493532 0.72 HSD11B1 (0.54) ALDH1A1HSD17B10HSD11B1MAPTHPGD
SCHEMBL1612000 0.72 HTT (0.45) ALDH1A1LMNAMAPTSMN1; SMN2HTT

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-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-04-14 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-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R ALDH1A1 3233/4885HSD17B10 3334/4885HSD11B1 1201/4885

“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.