SCHEMBL4832287

SCHEMBL4832287

CN1CCC(N2CCN(C(=O)CNc3ccccc3C(F)(F)F)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCD O00767 6/20 0.50
CACNA1G O43497 1/20 0.48
KCNH2 Q12809 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM1A O60341 1/20 0.47
MAOA P21397 1/20 0.47
STAT3 P40763 1/20 0.46
POLB P06746 2/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ACHE P22303 1/20 0.43
RBP4 P02753 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
P2RX7 Q99572 1/20 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
SCHEMBL4832356 0.83 KRAS (0.51) SCDKDM1AKDM4EALDH1A1ACHE
SCHEMBL4832498 0.81 METAP2 (0.45) KCNH2KDM1AMAOAKDM4EALDH1A1
SCHEMBL4844807 0.81 KDM4E (0.52) POLBKDM4EALDH1A1ACHEL3MBTL3
Hydrochloric Acid SCHEMBL4832494 0.80 KDM4E (0.51) POLBKDM4EALDH1A1ACHEL3MBTL3
Hydrochloric Acid SCHEMBL4832679 0.79 ACHE (0.54) KDM1AMAOAKDM4EALDH1A1ACHE
Hydrochloric Acid SCHEMBL4832370 0.78 MAPT (0.53) ACHEL3MBTL3L3MBTL1
SCHEMBL6986369 0.77 ALDH1A1 (0.41) KDM1AMAOASTAT3TSHRKDM4E
SCHEMBL6217208 0.77 ACHE (0.59) KDM1AMAOAPOLBKDM4EALDH1A1
Hydrochloric Acid SCHEMBL6986450 0.76 ALDH1A1 (0.40) KDM1AMAOASTAT3TSHRKDM4E
SCHEMBL4845033 0.76 HPGD (0.44) POLBTSHRKDM4EALDH1A1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351822-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2008-04-01 US disclosed
US-6946467-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-09-20 US disclosed
US-6936611-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-08-30 US disclosed
EP-1510515-A1 Phenylglycine derivatives as serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-03-02 EP disclosed
US-20040176363-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-09-09 US disclosed
EP-1289972-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2004-09-08 EP disclosed
US-20040142963-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-07-22 US disclosed
US-20030055246-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-03-20 US disclosed
EP-1289972-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096323-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 (3 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-20030055246-A1 Serine protease inhibitors CTRL, CPN1, LOXL1 SCD 1383/4885CACNA1G 3545/4885KCNH2 4353/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 SCD 551/4885CACNA1G 1667/4885KCNH2 3744/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 SCD 551/4885CACNA1G 1667/4885KCNH2 3744/4885

“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.