SCHEMBL5582926

SCHEMBL5582926

O=C(Nc1ccc2c(c1)NCC(CN1CCCC1)O2)c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.52
MCHR1 Q99705 9/20 0.52
HTR1F P30939 3/20 0.48
HTR1A P08908 2/20 0.48
HTR1D P28221 2/20 0.48
PTPN1 P18031 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
CHRNA7 P36544 1/20 0.42
KCNH2 Q12809 1/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
RAB9A P51151 1/20 0.42
ACKR3 P25106 1/20 0.42
ROCK2 O75116 1/20 0.41

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
SCHEMBL5583031 0.91 MCHR1 (0.50) HTR2CMCHR1SMN1; SMN2CYSLTR1MAPT
SCHEMBL5582679 0.81 MCHR1 (0.57) HTR2CMCHR1
SCHEMBL5582534 0.80 MCHR1 (0.54) HTR2CMCHR1MAPTNPC1TP53
SCHEMBL5582936 0.74 MCHR1 (0.53) MCHR1CYSLTR1NPC1RAB9A
SCHEMBL5582656 0.70 MCHR1 (0.69) HTR2CMCHR1SMN1; SMN2NPC1TP53
SCHEMBL5583028 0.70 MCHR1 (0.68) HTR2CMCHR1SMN1; SMN2NPC1TP53
SCHEMBL5582863 0.69 MCHR1 (0.44) MCHR1HTR1A
SCHEMBL5583043 0.69 RORC (0.49) HTR2CMCHR1SMN1; SMN2MAPTNPC1
SCHEMBL5582527 0.67 ALDH1A1 (0.48) MCHR1MAPT
SCHEMBL5651597 0.67 MCHR1 (1.00) HTR2CMCHR1

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 HTR2C 195/4885MCHR1 2/4885HTR1F 86/4885

“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.