SCHEMBL5583074

SCHEMBL5583074

CC1=C(CN2CCOCC2)COc2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.53
LMNA P02545 5/20 0.53
TP53 P04637 3/20 0.53
ALDH1A1 P00352 3/20 0.53
POLB P06746 1/20 0.53
NPC1 O15118 4/20 0.52
MAPK1 P28482 4/20 0.52
USP2 O75604 1/20 0.52
TRPV1 Q8NER1 3/20 0.51
HIF1A Q16665 2/20 0.51
EPAS1 Q99814 2/20 0.51
HDAC1 Q13547 1/20 0.50
MCHR1 Q99705 2/20 0.49
HTR2C P28335 1/20 0.49
HPGD P15428 1/20 0.48
CD274 Q9NZQ7 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 2/20 0.47

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
SCHEMBL5582742 0.93 MCHR1 (0.57) TRPV1MCHR1HTR2C
SCHEMBL5582775 0.90 HIF1A (0.59) RAB9ALMNATP53ALDH1A1POLB
SCHEMBL5582614 0.83 MCHR1 (0.56) RAB9ALMNATP53ALDH1A1NPC1
SCHEMBL5582955 0.82 MCHR1 (0.58) TRPV1MCHR1HTR2C
SCHEMBL5582969 0.76 MCHR1 (0.63) TRPV1MCHR1HTR2C
SCHEMBL16129664 0.74 WNT3A (0.72) ALDH1A1SMN1; SMN2MAPT
SCHEMBL5582966 0.74 MCHR1 (0.62) RAB9ATP53ALDH1A1NPC1TRPV1
SCHEMBL7694273 0.73 ROCK2 (0.43) RAB9AALDH1A1NPC1TRPV1SMN1; SMN2
SCHEMBL5582592 0.73 ROCK2 (0.56) ALDH1A1TRPV1SMN1; SMN2HTTTSHR
SCHEMBL5582813 0.72 MCHR1 (0.85) RAB9ALMNATP53ALDH1A1POLB

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 RAB9A 1813/4885LMNA 4047/4885TP53 4771/4885

“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.