SCHEMBL5582863

SCHEMBL5582863

Nc1ccc2c(c1)NCC(CN1CCCC1)O2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.44
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
HTR1A P08908 1/20 0.38
ACHE P22303 2/20 0.35
HRH3 Q9Y5N1 4/20 0.35
HRH4 Q9H3N8 1/20 0.35
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL9700130 0.80 ADRA2A (0.56) MCHR1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL9700463 0.79 ADRA2A (0.58) MCHR1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL5582527 0.79 ALDH1A1 (0.48) MCHR1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL3938782 0.79 HSD17B10 (0.34) HTR1A
SCHEMBL9701594 0.77 HTR1A (0.53) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL14454772 0.75 MCHR1 (0.42) MCHR1ADRA2AADRA2CALDH1A1
SCHEMBL5398026 0.75 ADRA2A (0.65) MCHR1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL18143470 0.74 KDM4E (0.30)
SCHEMBL16851355 0.74 KDM4E (0.30)
SCHEMBL18143171 0.73 MAPKAPK2 (0.30)

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 2/4885ADRA2A 204/4885ADRA2B 197/4885

“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.