SCHEMBL5863100

SCHEMBL5863100

CN(C)CCCNC(=O)c1ccc(-c2ccccc2CSCCOc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
CACNA1H O95180 1/20 0.45
CACNA1B Q00975 1/20 0.45
HPGD P15428 3/20 0.45
ALDH1A1 P00352 3/20 0.45
POLB P06746 1/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
ROCK2 O75116 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
ROCK1 Q13464 1/20 0.44
MAPK14 Q16539 1/20 0.43
MCHR1 Q99705 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 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
SCHEMBL5863072 0.97 NPC1 (0.45) FYNNPC1RAB9ASMN1; SMN2CACNA1H
SCHEMBL5863083 0.94 ALDH1A1 (0.50) FYNNPC1RAB9ASMN1; SMN2CACNA1H
Oxalic Acid SCHEMBL5863262 0.88 FYN (0.46) FYNNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL5863067 0.87 HTT (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1MCHR1
Hydrochloric Acid SCHEMBL5863069 0.87 ROCK2 (0.49) FYNNPC1RAB9ASMN1; SMN2CACNA1H
SCHEMBL6252851 0.86 KDM4E (0.43) SMN1; SMN2ALDH1A1KMT2AKDM4EL3MBTL1
Oxalic Acid SCHEMBL5863102 0.86 KDR (0.44) FYNNPC1RAB9ASMN1; SMN2HPGD
Oxalic Acid SCHEMBL5863058 0.83 ROCK2 (0.48) FYNNPC1RAB9ASMN1; SMN2CACNA1H
SCHEMBL5863052 0.83 KDM4E (0.45) FYNNPC1RAB9ASMN1; SMN2ALDH1A1
Oxalic Acid SCHEMBL5863143 0.83 FYN (0.46) FYNNPC1RAB9ASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132456-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2006-11-07 US disclosed
US-20060052449-A1 Novel mch receptor antagonists ELI LILLY AND COMPANY 2006-03-09 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-20060052449-A1 Novel mch receptor antagonists MCHR1, MCHR2, MC1R FYN 3249/4885NPC1 698/4885RAB9A 996/4885

“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.