SCHEMBL6354340

SCHEMBL6354340

ON1CCCC1c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPEPPS P55786 1/20 0.44
HSD11B1 P28845 1/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 1/20 0.42
CXCR4 P61073 2/20 0.42
NUDT1 P36639 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
RIPK1 Q13546 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
ADAM17 P78536 1/20 0.39
SCD5 Q86SK9 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL6344810 0.79 CXCR4 (0.42) NPEPPSHSD11B1ALDH1A1KDM4ECXCR4
SCHEMBL29352077 0.79 CHRNB2 (0.56) ALDH1A1MAPT
SCHEMBL19463939 0.79 CHRNB2 (0.56) ALDH1A1MAPT
SCHEMBL12644364 0.79 CXCR4 (0.42) NPEPPSHSD11B1ALDH1A1KDM4ECXCR4
SCHEMBL3182932 0.79 CHRNB2 (0.56) ALDH1A1MAPT
SCHEMBL14235834 0.79 CHRNB2 (0.56) ALDH1A1MAPT
SCHEMBL1329027 0.78 HSD11B1 (0.55) NPEPPSHSD11B1ALDH1A1NUDT1PRMT5
SCHEMBL278629 0.77 RIPK1 (0.45) NPEPPSHSD11B1ALDH1A1CXCR4NUDT1
SCHEMBL38659451 0.76 HSD11B1 (0.51) HSD11B1ALDH1A1NUDT1PRMT5WDR77
SCHEMBL8296762 0.76 HSD11B1 (0.51) HSD11B1ALDH1A1NUDT1PRMT5WDR77

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-20050256124-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-11-17 US disclosed
WO-2005103039-A1 2- (3-AMINOPYRROLIDIN-1-YL) PYRIDINES AS MELANIN-CONCENTRATING HORMONE RECEPTOR AN TAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2005-11-03 WO 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-20050256124-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto MCHR1, MCHR2, MC1R NPEPPS 3855/4885HSD11B1 222/4885ALDH1A1 2512/4885

“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.