SCHEMBL5582800

SCHEMBL5582800

Nc1ccc2c(c1)CCC(CN1CCOCC1)=C2

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.52
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HTR2C P28335 1/20 0.39
NCF1 P14598 1/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
HRH3 Q9Y5N1 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL5377259 0.87 MCHR1 (0.50) MCHR1HTR2CALDH1A1
SCHEMBL5583088 0.86 MCHR1 (0.50) MCHR1HTR2CALDH1A1HRH3
Hydrochloric Acid SCHEMBL5582840 0.84 MCHR1 (0.49) MCHR1HTR2CALDH1A1HRH3
SCHEMBL5582887 0.84 MCHR1 (0.51) MCHR1MAPTKDM4EHTR2C
SCHEMBL27483127 0.76 TMEM97 (0.47) MCHR1MAPTHTR2CALDH1A1HRH3
SCHEMBL8535292 0.75 MCHR1 (0.45) MCHR1HTR2C
SCHEMBL5582924 0.70 MCHR1 (0.84) MCHR1HTR2C
SCHEMBL5582583 0.70 MCHR1 (0.46) MCHR1HSD17B10
SCHEMBL11589105 0.69 POLB (0.49) MCHR1MAPTKDM4EMEN1ALDH1A1
SCHEMBL6268368 0.68 CYP2C9 (0.51) MAPTKDM4ENCF1MEN1ALDH1A1

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 5 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
WO-2003087046-A1 NOVEL AMINOTETRALINE COMPOUNDS FOR USE IN MCH RECEPTOR RELATED DISORDERS 7TM PHARMA A/S (DK) 2003-10-23 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 2/4885MAPT 4140/4885KDM4E 2952/4885

“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.