SCHEMBL6045705

SCHEMBL6045705

CC(=O)N(c1ccccc1)C1(c2nc(C)cs2)CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2D6 P10635 1/20 0.38
ATM Q13315 1/20 0.38
FAAH O00519 1/20 0.38

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 SCHEMBL6045737 0.98 MEN1 (0.41) ACHEMEN1KMT2ACYP2D6ATM
SCHEMBL6045421 0.93 CYP2D6 (0.44) ACHECYP2D6
SCHEMBL6045627 0.92 ACHE (0.38) ACHEMEN1KMT2ACYP2D6
SCHEMBL6045636 0.92 DRD4 (0.44) MEN1KMT2ACYP2D6
Oxalic Acid SCHEMBL6045529 0.92 CYP2D6 (0.42) ACHECYP2D6
SCHEMBL6045587 0.90 ACHE (0.49) ACHEMEN1KMT2ACYP2D6
SCHEMBL6045538 0.90 CYP3A4 (0.42) ACHEMEN1KMT2ACYP2D6
Fumaric Acid SCHEMBL6045576 0.89 SIGMAR1 (0.41) ACHECYP2D6
Fumaric Acid SCHEMBL6045570 0.89 SIGMAR1 (0.41) ACHECYP2D6
SCHEMBL6045430 0.89 CHRM4 (0.42) ACHE

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-20060252797-A1 Receptor regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-09 US claimed
EP-1559428-A1 RECEPTOR REGULATOR Takeda Pharmaceutical Company Limited (JP) 2005-08-03 EP claimed
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 3383/4885MEN1 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.