SCHEMBL1612419

SCHEMBL1612419

Cc1cccc(-n2nnnc2CCC(=O)Nc2ccnn2Cc2ccc(C(C)C)cc2)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.43
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CACNA1H O95180 3/20 0.35
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
HSD17B10 Q99714 1/20 0.34
P2RX7 Q99572 1/20 0.33
FLT1 P17948 1/20 0.33
KDR P35968 1/20 0.33
POLB P06746 1/20 0.32
TP53 P04637 1/20 0.32
GPR139 Q6DWJ6 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
ALPG P10696 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
SCHEMBL1611441 0.91 HDAC1 (0.40) HSD11B1HDAC1HDAC6CACNA1HRAB9A
SCHEMBL1493414 0.89 HSD11B1 (0.45) HSD11B1TP53ALDH1A1
SCHEMBL1611042 0.87 ALDH1A1 (0.39) HSD11B1HDAC1HDAC6CACNA1HKDM4E
SCHEMBL1611311 0.85 HSD11B1 (0.47) HSD11B1HDAC1HDAC6CACNA1HRAB9A
SCHEMBL1493285 0.85 ALDH1A1 (0.47) POLBALDH1A1
SCHEMBL1493574 0.79 TP53 (0.41) HSD11B1TP53ALDH1A1
SCHEMBL1611686 0.77 ALDH1A1 (0.44) POLBALDH1A1
SCHEMBL1493526 0.77 ALDH1A1 (0.49) POLBALDH1A1
SCHEMBL1612005 0.76 SMN1; SMN2 (0.46) HSD11B1TP53ALDH1A1
SCHEMBL1493310 0.76 ALDH1A1 (0.42) HSD11B1HSD17B10TP53ALDH1A1

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-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-04-14 US claimed
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 HSD11B1 1201/4885HDAC1 442/4885HDAC6 604/4885

“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.