SCHEMBL5867936

SCHEMBL5867936

O=C(CNc1ccccc1C(F)(F)F)NCC1CCN(C2CCCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
FAAH O00519 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
LMNA P02545 2/20 0.45
SCD O00767 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
BTK Q06187 1/20 0.45
HRH3 Q9Y5N1 4/20 0.44
TACR1 P25103 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RBP4 P02753 1/20 0.42
TTR P02766 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL5867880 0.82 EPHX1 (0.48) SMN1; SMN2ALDH1A1KDM4EBCHELMNA
SCHEMBL5867949 0.79 MEN1 (0.38) CYP1A2CYP2D6SMN1; SMN2KDM4EHRH3
SCHEMBL5868223 0.77 GRIN2B (0.47) HRH3MEN1KMT2A
SCHEMBL5868062 0.73 CHRM4 (0.46) ALDH1A1KDM4EACHEHRH3MAPT
SCHEMBL5867975 0.72 BRD4 (0.46) ALDH1A1KDM4EBCHEACHEMAPT
SCHEMBL4832287 0.72 SCD (0.50) CYP1A2CYP2D6SMN1; SMN2ALDH1A1KDM4E
SCHEMBL6986644 0.71 F10 (0.43) SMN1; SMN2ALDH1A1FAAHACHELMNA
SCHEMBL16488218 0.70 SCD (0.51) ALDH1A1KDM4EFAAHBCHEACHE
SCHEMBL5399959 0.69 GRIN2B (0.53) CYP2D6SCDKMT2ARBP4TTR
SCHEMBL26623592 0.68 ALDH1A1 (0.69) CYP1A2SMN1; SMN2ALDH1A1KDM4ETDP1

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-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
EP-1289954-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096303-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 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 (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 CYP1A2 1964/4885CYP2D6 3067/4885SMN1; SMN2 2023/4885
US-20040259868-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 CYP1A2 1342/4885CYP2D6 2052/4885SMN1; SMN2 1756/4885

“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.