SCHEMBL2477407

SCHEMBL2477407

O=C(O)C1CCCN1C(=O)c1ccc2ccccc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.55
CNR1 P21554 2/20 0.55
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TSHR P16473 1/20 0.52
DGAT1 O75907 4/20 0.52
MGAM O43451 1/20 0.49
GRIN2B Q13224 1/20 0.48
KDM2B Q8NHM5 2/20 0.47
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
GAA P10253 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
OGFRL1 Q5TC84 1/20 0.46
CA2 P00918 1/20 0.45
ITGB3 P05106 1/20 0.44
ITGB1 P05556 1/20 0.44
ITGAV P06756 1/20 0.44

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
SCHEMBL2475715 1.00 CNR2 (0.55) CNR2CNR1ALDH1A1SMN1; SMN2TSHR
Trifluoroacetic Acid SCHEMBL30345244 0.93 CNR1 (0.49) CNR2CNR1ALDH1A1SMN1; SMN2TSHR
SCHEMBL15743806 0.88 CNR1 (0.51) CNR2CNR1ALDH1A1SMN1; SMN2TSHR
SCHEMBL13570410 0.88 CNR2 (0.53) CNR2CNR1ALDH1A1SMN1; SMN2TSHR
SCHEMBL11227100 0.86 ACE (0.50) CNR2CNR1ALDH1A1SMN1; SMN2KDM2B
SCHEMBL14664075 0.85 CNR1 (0.48) CNR2CNR1ALDH1A1SMN1; SMN2TSHR
SCHEMBL14828682 0.85 CNR1 (0.48) CNR2CNR1ALDH1A1SMN1; SMN2TSHR
SCHEMBL6787956 0.83 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2DGAT1CA2ITGB3
SCHEMBL6787964 0.83 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2DGAT1CA2ITGB3
SCHEMBL19688673 0.82 CNR1 (0.46) CNR2CNR1ALDH1A1SMN1; SMN2TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653054-B2 2-(N-substituted piperazinyl) steroid derivatives UNIVERSITE LAVAL (CA) 2014-02-18 US disclosed
US-20110312926-A1 2-(N-Substituted Piperazinyl) Steroid Derivatives UNIVERSITE LAVAL (CA) 2011-12-22 US disclosed
EP-2373674-A1 2-(N-SUBSTITUTED PIPERAZINYL) STEROID DERIVATIVES Université Laval (CA) 2011-10-12 EP disclosed
WO-2010060215-A1 2-(N-SUBSTITUTED PIPERAZINYL) STEROID DERIVATIVES UNIVERSITé LAVAL (CA) 2010-06-03 WO 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-20110312926-A1 2-(N-Substituted Piperazinyl) Steroid Derivatives NR5A1, HSD17B11, CYP17A1 CNR2 1064/4885CNR1 784/4885ALDH1A1 556/4885

“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.