SCHEMBL5582929

SCHEMBL5582929

CC(=O)Nc1cccc2c1CCC(=CN(C)C)C2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 5/20 0.50
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAOA P21397 1/20 0.45
KDM4E B2RXH2 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CASP3 P42574 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAOB P27338 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PARP14 Q460N5 1/20 0.38
CCNE2 O96020 3/20 0.38

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
SCHEMBL4814588 0.76 NPC1 (0.56) TYRNPC1RAB9AMAOAKDM4E
SCHEMBL7125575 0.73 CYP19A1 (0.61) TYRKDM4EKMT2AMEN1CASP3
SCHEMBL7125573 0.73 CYP19A1 (0.61) TYRKDM4EKMT2AMEN1CASP3
SCHEMBL30612402 0.72 NPC1 (0.56) NPC1RAB9AMAOAKDM4EKMT2A
SCHEMBL5582666 0.72 NPC1 (0.56) NPC1RAB9AMAOAKDM4EKMT2A
SCHEMBL5582600 0.72 NPC1 (0.53) NPC1RAB9AMAOAKDM4EKMT2A
SCHEMBL30612407 0.72 NPC1 (0.56) NPC1RAB9AMAOAKDM4EKMT2A
SCHEMBL5582807 0.71 NPC1 (0.54) TYRNPC1RAB9AMAOAKDM4E
SCHEMBL9379650 0.69 NPC1 (0.55) TYRNPC1RAB9AMAOAKDM4E
SCHEMBL7581652 0.69 PARP1 (0.56) NPC1RAB9AMAOAKDM4ECASP3

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-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 TYR 35/4885NPC1 1085/4885RAB9A 1813/4885

“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.