SCHEMBL2022005

SCHEMBL2022005

CNC(=O)c1cc(CC(=O)NC2CC2)c2c(c1)c1c(n2S(C)(=O)=O)CCCC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
GRIA2 P42262 1/20 0.34
BRD4 O60885 6/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 2/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
TSHR P16473 1/20 0.32
SMYD3 Q9H7B4 1/20 0.31
HPGD P15428 1/20 0.31
CSF1R P07333 1/20 0.31

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
SCHEMBL2022004 0.70 CNR1 (0.55) RORCKDM4E
SCHEMBL2909582 0.53 RAB9A (0.57) SMN1; SMN2MEN1KMT2ASMYD3HPGD
SCHEMBL19662207 0.52 BRD4 (0.72) BRD4
SCHEMBL4478521 0.52 HDAC8 (0.60) SMN1; SMN2BRD4ALDH1A1HTTTSHR
SCHEMBL24784223 0.52 HPGD (0.53) SMN1; SMN2BRD4MEN1KMT2ASMYD3
SCHEMBL10528098 0.52 EPHX2 (0.47) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL10527634 0.52 LMNA (0.51) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL20674093 0.52 BRD4 (0.44) CYP3A4CYP2D6CYP2C9BRD4MEN1
SCHEMBL12084650 0.52 NPC1 (0.58) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL20812406 0.52 HPGD (0.68) MEN1KMT2AALDH1A1TSHRHPGD

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-20110160180-A1 Cannabinoid Receptor Ligands ASTRAZENECA AB (SE) 2011-06-30 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-20110160180-A1 Cannabinoid Receptor Ligands CNR1, CNR2, OPRL1 RORC 574/4885SMN1; SMN2 1384/4885CYP3A4 1129/4885

“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.