SCHEMBL2374151

SCHEMBL2374151

N[C@@H](Cc1ccccc1)C(=O)N1CCc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.67
HTT P42858 1/20 0.62
RECQL P46063 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
HDAC8 Q9BY41 4/20 0.62
ALDH1A1 P00352 2/20 0.59
OPRM1 P35372 1/20 0.56
OPRD1 P41143 1/20 0.56
OPRK1 P41145 1/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
NOTUM Q6P988 2/20 0.55
FPR2 P25090 1/20 0.55
MAPT P10636 3/20 0.54
NFKB1 P19838 3/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TP53 P04637 2/20 0.54

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
SCHEMBL2374156 1.00 TSHR (0.67) TSHRHTTRECQLNPSR1HDAC8
SCHEMBL27126281 0.86 FPR1 (0.60) TSHRHTTRECQLNPSR1HDAC8
SCHEMBL26982499 0.86 FPR1 (0.60) TSHRHTTRECQLNPSR1HDAC8
SCHEMBL8024012 0.83 OPRM1 (0.69) TSHRHTTNPSR1HDAC8ALDH1A1
SCHEMBL6277373 0.82 NOTUM (0.62) TSHRHTTRECQLNPSR1ALDH1A1
SCHEMBL6277375 0.82 NOTUM (0.62) TSHRHTTRECQLNPSR1ALDH1A1
SCHEMBL2685396 0.81 DPP4 (0.48) TSHRHTTRECQLNPSR1HDAC8
SCHEMBL2685400 0.81 DPP4 (0.48) TSHRHTTRECQLNPSR1HDAC8
SCHEMBL2685605 0.80 HDAC8 (0.47) TSHRHTTRECQLNPSR1HDAC8
SCHEMBL10260107 0.80 CYP11B1 (0.53) TSHRHDAC8ALDH1A1NPC1RAB9A

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-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-15 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-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS CTSA, BECN1, HDAC6 TSHR 4844/4885HTT 2814/4885RECQL 1099/4885

“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.