SCHEMBL5582622

SCHEMBL5582622

O=C1CCc2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc2C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.60
NFKB1 P19838 3/20 0.60
RAB9A P51151 3/20 0.60
NFKB2 Q00653 3/20 0.60
RELA Q04206 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
TP53 P04637 2/20 0.60
GAA P10253 1/20 0.60
HTT P42858 1/20 0.60
MCHR1 Q99705 3/20 0.56
ACHE P22303 3/20 0.56
PTPN1 P18031 3/20 0.54
DEGS1 O15121 1/20 0.54
SLC2A1 P11166 1/20 0.53
CREBBP Q92793 1/20 0.52
PARP1 P09874 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
TRPV1 Q8NER1 1/20 0.50
MELK Q14680 1/20 0.49

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
SCHEMBL20078361 0.85 RAB9A (0.83) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL14484164 0.80 MAPK14 (0.65) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8744889 0.78 NPC1 (0.71) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL4970944 0.78 CYP1A2 (0.67) NPC1RAB9ASMN1; SMN2HTTALDH1A1
SCHEMBL14484125 0.77 MAPK14 (0.71) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL22493880 0.76 TMPRSS2 (0.57) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL6293599 0.76 ROCK2 (0.63) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL5582726 0.76 NPC1 (0.55) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL4768623 0.75 RAB9A (0.58) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL14454817 0.75 MCHR1 (0.72) NPC1NFKB1RAB9ANFKB2RELA

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-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

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 NPC1 1085/4885NFKB1 3130/4885RAB9A 1813/4885

“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.