SCHEMBL5582836

SCHEMBL5582836

CC1=C(CN2CCCC2)CCc2cc(N)ccc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.43
ALDH1A1 P00352 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
NR4A1 P22736 1/20 0.39
KMT2A Q03164 1/20 0.39
PTK2B Q14289 1/20 0.39
S1PR1 P21453 12/20 0.39
S1PR3 Q99500 6/20 0.38
DRD2 P14416 1/20 0.36
MAOA P21397 1/20 0.36
RAD52 P43351 1/20 0.36

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
SCHEMBL5582662 0.90 LMNA (0.49) CASP1CASP7HSD17B10MAPTS1PR1
SCHEMBL10670021 0.81 KDM4E (0.42) ALDH1A1S1PR1S1PR3
SCHEMBL5582743 0.80 ACHE (0.40) ACHEALDH1A1CASP1CASP7HSD17B10
SCHEMBL5582751 0.76 CASP1 (0.46) ALDH1A1CASP1CASP7HSD17B10GAA
SCHEMBL5582749 0.75 ACHE (0.41) ACHEALDH1A1MEN1GAAMAPT
SCHEMBL6658043 0.68 CASP1 (0.71) ALDH1A1CASP1CASP7HSD17B10MEN1
SCHEMBL5377259 0.68 MCHR1 (0.50) ACHEALDH1A1DRD2MAOA
SCHEMBL9609631 0.67 ACHE (0.60) ACHEALDH1A1MEN1GAAMAPT
SCHEMBL5583088 0.67 MCHR1 (0.50) ACHEALDH1A1DRD2MAOA
SCHEMBL29182981 0.66 ACHE (0.63) ACHEALDH1A1MEN1GAAMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-7115750-B1 Melanin concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-03 US disclosed
EP-1218336-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed
WO-2001021577-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-29 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-20070173498-A1 Melanin concentrating hormone antagonist MC1R, MCHR1, MCHR2 ACHE 4858/4885ALDH1A1 1784/4885CASP1 3798/4885

“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.