SCHEMBL5867949

SCHEMBL5867949

CC(C)(C)OC(=O)c1cccc(NCC(=O)NCC2CCN(C3CCCC3)CC2)c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTR4 Q13639 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
CCRL2 O00421 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OGFRL1 Q5TC84 1/20 0.36
MAPK1 P28482 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36
CCR3 P51677 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CCR2 P41597 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL5867936 0.79 CYP1A2 (0.53) MEN1KMT2AKDM4EHRH3CYP1A2
SCHEMBL6582688 0.75 CYP2D6 (0.44) KDM4EPKMCYP2D6ADRA1AADRA1B
SCHEMBL6986644 0.73 F10 (0.43) MEN1KMT2ASMN1; SMN2
SCHEMBL6581263 0.73 SCD (0.45) KDM4EPKMCYP2D6ADRA1AADRA1B
Hydrochloric Acid SCHEMBL6982358 0.71 ROCK2 (0.41) MEN1KMT2AHTR4HRH3CCR2
SCHEMBL5867880 0.71 EPHX1 (0.48) KMT2AHTR4KDM4EOPRM1OGFRL1
SCHEMBL6988752 0.69 ALDH1A1 (0.43) HTR4KDM4ECCR3
SCHEMBL5868128 0.69 DRD2 (0.47) MEN1KMT2AKDM4EPKMOPRM1
SCHEMBL6983529 0.68 HTR4 (0.42) MEN1KMT2AHTR4SMN1; SMN2RXFP1
SCHEMBL5868223 0.67 GRIN2B (0.47) MEN1KMT2AHTR4OGFRL1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053078-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2006-05-30 US disclosed
EP-1289954-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2005-09-14 EP disclosed
US-6900196-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-05-31 US disclosed
US-20040259868-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-12-23 US disclosed
US-20030109706-A1 Serine pretease inhibitors ELI LILLY AND COMPANY 2003-06-12 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 (2 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-20030109706-A1 Serine pretease inhibitors PRSS1, SERPINE1, HPN MEN1 1712/4885KMT2A 3428/4885HTR4 3204/4885
US-20040259868-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 MEN1 1959/4885KMT2A 3308/4885HTR4 2590/4885

“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.