SCHEMBL5582571

SCHEMBL5582571

CN(C)CCNC(=O)Cc1ccc(NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.54
POLB P06746 1/20 0.51
BCHE P06276 2/20 0.50
ACHE P22303 2/20 0.50
KCNH2 Q12809 1/20 0.49
LTA4H P09960 1/20 0.48
ENPP2 Q13822 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
KDM1A O60341 2/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47
ROCK2 O75116 1/20 0.46
RCOR1 Q9UKL0 1/20 0.46
RORC P51449 1/20 0.46
MGLL Q99685 1/20 0.46

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
SCHEMBL9314252 0.84 POLB (0.54) POLBLTA4HENPP2TP53MAPT
SCHEMBL7228960 0.82 POLB (0.52) TGM2POLBBCHEACHELTA4H
SCHEMBL11570271 0.82 KCNH2 (0.69) KCNH2MAPT
SCHEMBL14772158 0.81 LMNA (0.65) TGM2MAPT
Hydrochloric Acid SCHEMBL11570396 0.81 KCNH2 (0.67) KCNH2MAPT
SCHEMBL5583103 0.81 RAB9A (0.62) POLBLTA4HMAPT
SCHEMBL5582770 0.80 ENPP2 (0.64) ENPP2
SCHEMBL5582552 0.80 KMT2A (0.59) POLBBCHEACHE
SCHEMBL21227021 0.79 HTT (0.57) TGM2MAPT
SCHEMBL1706962 0.79 LTA4H (0.69) TGM2POLBKCNH2LTA4HTP53

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US claimed
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 TGM2 4497/4885POLB 4114/4885BCHE 4748/4885

“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.