SCHEMBL5582691

SCHEMBL5582691

CN(C)CC1COc2cc(NC(=O)c3ccc(-c4ccc(F)cc4F)cc3)ccc2O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.46
ROCK2 O75116 1/20 0.42
KLKB1 P03952 4/20 0.42
CXCR2 P25025 1/20 0.42
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 4/20 0.41
MAOB P27338 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
LMNA P02545 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 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
SCHEMBL5582804 0.83 NPC1 (0.56) MCHR1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL5582490 0.80 MCHR1 (0.54) MCHR1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6925180 0.80 HTR1D (0.62) RAB9ASMN1; SMN2TP53MAPTALDH1A1
SCHEMBL5582991 0.79 NPC1 (0.56) MCHR1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL6921997 0.76 HTR1D (0.62) RAB9ASMN1; SMN2TP53MAPTALDH1A1
SCHEMBL14454800 0.76 MCHR1 (0.60) MCHR1ROCK2KLKB1
SCHEMBL5770522 0.74 MCHR1 (0.82) MCHR1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL13763375 0.70 NPC1 (0.50) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL13995995 0.70 NPC1 (0.50) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL13763376 0.70 NPC1 (0.50) NPC1RAB9ASMN1; SMN2TP53MAPT

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 MCHR1 2/4885ROCK2 2461/4885KLKB1 3106/4885

“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.