SCHEMBL6637237

SCHEMBL6637237

N[C@@H]1CC[C@H](CNC(=O)c2cccnc2)C1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.54
ALDH1A1 P00352 3/20 0.47
DPP4 P27487 1/20 0.47
PREP P48147 1/20 0.47
FAP Q12884 1/20 0.47
DPP8 Q6V1X1 1/20 0.47
DPP9 Q86TI2 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RORC P51449 1/20 0.46
TSHR P16473 2/20 0.46

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
SCHEMBL6637236 1.00 THRB (0.54) THRBALDH1A1DPP4PREPFAP
SCHEMBL18118413 0.92 THRB (0.56) THRBALDH1A1DPP4PREPFAP
SCHEMBL22583343 0.88 THRB (0.64) THRBALDH1A1DPP4PREPFAP
SCHEMBL6640027 0.84 CTSL (0.56) SMN1; SMN2HDAC1HDAC6PKM
SCHEMBL6641299 0.84 CTSL (0.56) SMN1; SMN2HDAC1HDAC6PKM
SCHEMBL6643580 0.84 CTSL (0.56) SMN1; SMN2HDAC1HDAC6PKM
SCHEMBL27793820 0.82 THRB (0.56) THRBALDH1A1DPP4PREPFAP
SCHEMBL4179469 0.81 ALDH1A1 (0.62) THRBALDH1A1DPP4PREPFAP
SCHEMBL3429186 0.81 ALDH1A1 (0.62) THRBALDH1A1DPP4PREPFAP
SCHEMBL28788248 0.80 THRB (0.51) THRBALDH1A1DPP4PREPFAP

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
EP-1250340-B1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 LILLY CO ELI (US) 2004-11-17 EP disclosed
US-20040176405-A1 Methods and compounds for inhibitting MRP1 KROIN JULIAN (US) 2004-09-09 US disclosed
US-6743794-B2 MULTIDRUG RESISTANCE PROTEIN; CANCER; 3-(9-CHLORO-3-METHYL-4-OXO-5H-ISOXAZOLO(4,3-C)QUINOLIN-5-YL)) CYCLOHEXYL)-2-PIPERIDYLACETAMIDE ELI LILLY AND COMPANY 2004-06-01 US disclosed
US-20030100576-A1 Methods and compounds for inhibiting mrp1 ELI LILLY AND COMPANY 2003-05-29 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 (2 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-20040176405-A1 Methods and compounds for inhibitting MRP1 ABCC1, ABCB11, ABCB1 THRB 3709/4885ALDH1A1 208/4885DPP4 1481/4885
US-20030100576-A1 Methods and compounds for inhibiting mrp1 ABCC1, ABCB11, ABCB1 THRB 3318/4885ALDH1A1 264/4885DPP4 1737/4885

“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.