SCHEMBL6045587

SCHEMBL6045587

CC(=O)N(c1cccc(F)c1)C1(c2nc(C)cs2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.49
SIGMAR1 Q99720 2/20 0.46
OPRM1 P35372 2/20 0.46
KCNH2 Q12809 1/20 0.46
CYP2D6 P10635 5/20 0.43
MAPK1 P28482 2/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
TSHR P16473 1/20 0.39
CACNA2D1 P54289 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
HPGD P15428 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
OPRD1 P41143 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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 SCHEMBL6045449 0.98 ACHE (0.47) ACHESIGMAR1OPRM1KCNH2CYP2D6
SCHEMBL6045562 0.91 CHRM2 (0.43) ACHECYP2D6MAPK1MEN1KMT2A
SCHEMBL6045421 0.91 CYP2D6 (0.44) ACHESIGMAR1OPRM1CYP2D6MAPK1
SCHEMBL6045524 0.90 CHRM2 (0.44) ACHESIGMAR1CYP2D6MAPK1TSHR
SCHEMBL6045705 0.90 ACHE (0.41) ACHECYP2D6MEN1KMT2A
Oxalic Acid SCHEMBL6045606 0.90 ALDH1A1 (0.43) ACHECYP2D6MAPK1MEN1KMT2A
SCHEMBL6045627 0.89 ACHE (0.38) ACHESIGMAR1OPRM1KCNH2CYP2D6
Oxalic Acid SCHEMBL6045529 0.89 CYP2D6 (0.42) ACHESIGMAR1OPRM1CYP2D6MAPK1
Oxalic Acid SCHEMBL6045775 0.89 CHRM2 (0.43) ACHESIGMAR1CYP2D6MAPK1MEN1
Oxalic Acid SCHEMBL6045737 0.89 MEN1 (0.41) ACHECYP2D6MAPK1MEN1KMT2A

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 ACHE 3383/4885SIGMAR1 179/4885OPRM1 148/4885

“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.