SCHEMBL6504722

SCHEMBL6504722

CC(C)CNC1=NC(=O)C(CC(=O)N2CCc3ccccc3C2)S1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.46
ACE P12821 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 3/20 0.42
DPP8 Q6V1X1 2/20 0.42
DPP7 Q9UHL4 1/20 0.42
NLRP3 Q96P20 1/20 0.41
NOTUM Q6P988 1/20 0.41
DPP4 P27487 2/20 0.41
GAA P10253 1/20 0.41
HHAT Q5VTY9 2/20 0.40
HTT P42858 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
SCHEMBL6428776 0.82 ALDH1A1 (0.49) TAAR1MEN1KMT2ANPC1RAB9A
SCHEMBL6427907 0.82 ALDH1A1 (0.50) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL6499328 0.82 ALDH1A1 (0.50) TAAR1ACEMEN1KMT2AALDH1A1
SCHEMBL6508183 0.82 ALDH1A1 (0.50) TAAR1ACEMEN1KMT2AALDH1A1
SCHEMBL6393517 0.81 ALDH1A1 (0.55) TAAR1MEN1KMT2ANPC1RAB9A
SCHEMBL6427188 0.80 ALDH1A1 (0.57) TAAR1MEN1KMT2AALDH1A1MAPT
SCHEMBL6426510 0.80 ALDH1A1 (0.57) TAAR1MEN1KMT2AALDH1A1MAPT
SCHEMBL6510576 0.77 DPP4 (0.52) TAAR1MEN1KMT2AALDH1A1MAPT
SCHEMBL6430684 0.75 ALDH1A1 (0.50) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL6427337 0.75 ALDH1A1 (0.50) MEN1KMT2ANPC1RAB9AALDH1A1

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-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 TAAR1 1806/4885ACE 449/4885MEN1 979/4885

“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.