SCHEMBL5583099

SCHEMBL5583099

COc1ccc(-c2ccc(C(=O)Nc3ccc4c(c3)CCC(CN3CCCC3)=C4C)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.67
ALDH1A1 P00352 3/20 0.53
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.51
NR4A1 P22736 1/20 0.51
RAB9A P51151 1/20 0.51
MCL1 Q07820 1/20 0.51
MAPK14 Q16539 1/20 0.51
TRPV1 Q8NER1 2/20 0.50
HTR2C P28335 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
THRB P10828 1/20 0.49
LMNA P02545 1/20 0.49
HIF1A Q16665 1/20 0.48
EPAS1 Q99814 1/20 0.48

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
SCHEMBL5582590 0.94 MCHR1 (0.58) MCHR1ALDH1A1MAPTKMT2ARAB9A
SCHEMBL5582521 0.91 MCHR1 (0.64) MCHR1ALDH1A1MAPTKMT2ANR4A1
SCHEMBL5582969 0.89 MCHR1 (0.63) MCHR1TRPV1HTR2C
SCHEMBL5582730 0.89 MCHR1 (0.64) MCHR1ALDH1A1MAPTHTR2CKDM4E
SCHEMBL5582714 0.89 MCHR1 (0.64) MCHR1ALDH1A1RAB9AMAPK14HTR2C
SCHEMBL5582614 0.84 MCHR1 (0.56) MCHR1ALDH1A1MAPTKMT2ANR4A1
SCHEMBL5582939 0.83 MCHR1 (0.57) MCHR1ALDH1A1MAPTRAB9AMAPK14
SCHEMBL5582523 0.82 MCHR1 (0.55) MCHR1RAB9AMAPK14HTR2C
SCHEMBL5582598 0.82 MCHR1 (0.66) MCHR1MAPK14HTR2C
SCHEMBL5582951 0.81 MCHR1 (0.63) MCHR1ALDH1A1MAPTRAB9AHTR2C

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 MCHR1 2/4885ALDH1A1 1784/4885MAPT 4140/4885

“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.