SCHEMBL6045585

SCHEMBL6045585

CC(=O)N(c1ccccc1)C1(c2nc(C)cs2)CCN(Cc2cccc3ccccc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.41
FAAH O00519 2/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ACHE P22303 2/20 0.39
MAPK1 P28482 1/20 0.39
NPFFR1 Q9GZQ6 2/20 0.38
NPFFR2 Q9Y5X5 2/20 0.38
BCHE P06276 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MGLL Q99685 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36

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
SCHEMBL6045518 0.88 CHRM2 (0.47) FAAHMEN1KMT2AALDH1A1GAA
SCHEMBL6045421 0.87 CYP2D6 (0.44) ALDH1A1ACHEMAPK1
SCHEMBL6045478 0.86 CHRM2 (0.34) MEN1KMT2AALDH1A1KDM4EMAPK1
SCHEMBL6045483 0.86 KDM4E (0.47) MEN1KMT2AALDH1A1KDM4EACHE
SCHEMBL6045453 0.86 LMNA (0.36) ALDH1A1ACHE
Oxalic Acid SCHEMBL6045529 0.85 CYP2D6 (0.42) ALDH1A1ACHEMAPK1
SCHEMBL6045497 0.84 CHRM2 (0.38) OPRL1MEN1KMT2AALDH1A1KDM4E
SCHEMBL6045609 0.84 KDM4E (0.41) MEN1KMT2AALDH1A1KDM4EACHE
Oxalic Acid SCHEMBL6045590 0.84 CHRM2 (0.33) MEN1KMT2AALDH1A1KDM4EMAPK1
Oxalic Acid SCHEMBL6045600 0.84 KDM4E (0.50) MEN1KMT2AALDH1A1KDM4EMAPK1

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-20060252797-A1 Receptor regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-09 US disclosed
EP-1559428-A1 RECEPTOR REGULATOR Takeda Pharmaceutical Company Limited (JP) 2005-08-03 EP 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-20060252797-A1 Receptor regulator NMUR1, NMUR2, NMBR OPRL1 71/4885FAAH 2297/4885MEN1 215/4885

“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.