SCHEMBL1611042

SCHEMBL1611042

Cc1ccc(C)c(-n2nnnc2CCC(=O)Nc2ccnn2Cc2ccc(C(C)C)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
HSD11B1 P28845 1/20 0.39
CACNA1H O95180 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 2/20 0.36
HPGD P15428 2/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
RORC P51449 3/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
FLT1 P17948 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL1493380 0.89 MAPT (0.45) ALDH1A1HSD11B1MEN1KMT2AHPGD
SCHEMBL1612419 0.87 HSD11B1 (0.43) ALDH1A1HSD11B1CACNA1HTP53HDAC1
SCHEMBL1611441 0.86 HDAC1 (0.40) ALDH1A1HSD11B1CACNA1HKMT2ATSHR
SCHEMBL1612225 0.85 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ATSHRHPGD
SCHEMBL1611311 0.84 HSD11B1 (0.47) ALDH1A1HSD11B1CACNA1HMEN1KMT2A
SCHEMBL1493501 0.77 ALDH1A1 (0.63) ALDH1A1MEN1KMT2ATSHRHPGD
SCHEMBL1493469 0.77 MAPT (0.44) ALDH1A1KMT2ATSHRHPGDTP53
SCHEMBL1493414 0.75 HSD11B1 (0.45) ALDH1A1HSD11B1MEN1KMT2ATSHR
SCHEMBL1493574 0.74 TP53 (0.41) ALDH1A1HSD11B1TP53MAPT
SCHEMBL1493457 0.74 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ATSHRHPGD

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 ALDH1A1 3233/4885HSD11B1 1201/4885CACNA1H 467/4885

“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.