SCHEMBL1611441

SCHEMBL1611441

Cc1cccc(C)c1-n1nnnc1CCC(=O)Nc1ccnn1Cc1ccc(C(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HSD11B1 P28845 2/20 0.39
KMT2A Q03164 1/20 0.37
CACNA1H O95180 5/20 0.36
RAB9A P51151 1/20 0.36
FLT1 P17948 1/20 0.34
KDR P35968 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
ENPP2 Q13822 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
GPR139 Q6DWJ6 1/20 0.33
ALPL P05186 1/20 0.33
ALPI P09923 1/20 0.33
ALPG P10696 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
SCHEMBL1612419 0.91 HSD11B1 (0.43) HDAC1HDAC6HSD11B1CACNA1HRAB9A
SCHEMBL1493574 0.88 TP53 (0.41) HSD11B1ALDH1A1LMNAHTT
SCHEMBL1611311 0.88 HSD11B1 (0.47) HDAC1HDAC6HSD11B1KMT2ACACNA1H
SCHEMBL1611042 0.86 ALDH1A1 (0.39) HDAC1HDAC6HSD11B1KMT2ACACNA1H
SCHEMBL1493469 0.80 MAPT (0.44) KMT2AALDH1A1TSHRHTTGPR139
SCHEMBL1612000 0.79 HTT (0.45) ALDH1A1LMNAMAPK1HTT
SCHEMBL1493414 0.79 HSD11B1 (0.45) HSD11B1KMT2AALDH1A1LMNATSHR
SCHEMBL1612083 0.79 THRB (0.42) ALDH1A1LMNAMAPK1HTT
SCHEMBL1493285 0.77 ALDH1A1 (0.47) KMT2AALDH1A1LMNA
SCHEMBL1610263 0.74 HSD11B1 (0.42) HSD11B1KMT2ARAB9AALDH1A1LMNA

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 HDAC1 442/4885HDAC6 604/4885HSD11B1 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.