SCHEMBL6045530

SCHEMBL6045530

CCC(=O)N(c1ccc(Cl)cc1)C1(c2nc(C)cs2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DRD4 P21917 2/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
OPRM1 P35372 9/20 0.42
SIGMAR1 Q99720 6/20 0.42
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
CCR3 P51677 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40

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
Oxalic Acid SCHEMBL6045777 0.98 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2DRD4
SCHEMBL6045648 0.94 OPRM1 (0.47) OPRM1SIGMAR1OPRD1OPRK1
SCHEMBL6045547 0.94 OPRM1 (0.44) LMNAOPRM1SIGMAR1OPRD1OPRK1
Oxalic Acid SCHEMBL6045490 0.93 OPRM1 (0.46) OPRM1SIGMAR1OPRD1OPRK1
SCHEMBL6045495 0.90 OPRM1 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2OPRM1
Oxalic Acid SCHEMBL6045448 0.89 OPRM1 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL6045551 0.88 OPRM1 (0.43) ALDH1A1OPRM1SIGMAR1OPRD1OPRK1
SCHEMBL6045636 0.87 DRD4 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2DRD4
SCHEMBL6045488 0.86 OPRM1 (0.42) ALDH1A1OPRM1SIGMAR1
Oxalic Acid SCHEMBL6045481 0.86 KDM4E (0.42) ALDH1A1OPRM1SIGMAR1OPRD1OPRK1

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 ALDH1A1 4220/4885MEN1 215/4885KMT2A 2790/4885

“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.