SCHEMBL5582645

SCHEMBL5582645

CN(C)CCNC(=O)Cc1ccc(N)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.49
KCNH2 Q12809 1/20 0.49
HPGD P15428 1/20 0.46
CYP2C19 P33261 2/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SLC22A2 O15244 1/20 0.44
SLC22A1 O15245 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
ACHE P22303 1/20 0.44
MAPK1 P28482 1/20 0.44
GLA P06280 1/20 0.44
CNR2 P34972 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
MAPT P10636 2/20 0.43

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
SCHEMBL12460089 0.91 HPGD (0.51) HDAC1KCNH2HPGDLMNA
SCHEMBL8139484 0.87 HDAC1 (0.49) HDAC1KCNH2HPGDCYP2C19KDM4E
SCHEMBL14679387 0.85 HPGD (0.64) HDAC1HPGDLMNAL3MBTL1ALDH1A1
SCHEMBL849368 0.84 L3MBTL1 (0.63) HDAC1KCNH2CYP2C19LMNAKDM4E
SCHEMBL2276151 0.84 ALDH1A1 (0.56) HPGDCYP2C19LMNAL3MBTL1ALDH1A1
SCHEMBL11570271 0.83 KCNH2 (0.69) KCNH2HPGDLMNAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL11570396 0.82 KCNH2 (0.67) KCNH2HPGDKDM4EALDH1A1CNR2
SCHEMBL3109264 0.81 KCNH2 (0.49) HDAC1KCNH2HPGDCYP2C19KDM4E
SCHEMBL8117324 0.80 RORC (0.48) HDAC1KCNH2HPGDCYP2C19KDM4E
SCHEMBL4192988 0.80 CYP1A2 (0.53) HDAC1KCNH2HPGDCYP2C19LMNA

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 HDAC1 461/4885KCNH2 2886/4885HPGD 1108/4885

“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.