SCHEMBL4837486

SCHEMBL4837486

O=C(CNc1ccccc1)N1CCN(CCc2ccncc2F)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.46
KCNH3 Q9ULD8 1/20 0.41
HTR2A P28223 7/20 0.41
HTR2C P28335 5/20 0.41
FAAH O00519 2/20 0.41
HTR1A P08908 2/20 0.40
DRD2 P14416 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
KCNH2 Q12809 1/20 0.40
SIGMAR1 Q99720 1/20 0.39

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
Hydrochloric Acid SCHEMBL4840629 0.99 P2RX7 (0.46) P2RX7KCNH3HTR2AHTR2CFAAH
SCHEMBL4840912 0.82 P2RX7 (0.53) P2RX7FAAHHTR1ADRD2KCNH2
SCHEMBL4836752 0.81 KDM4E (0.54) P2RX7FAAHHTR1ADRD2KDM4E
Hydrochloric Acid SCHEMBL4840698 0.81 P2RX7 (0.52) P2RX7FAAHHTR1ADRD2KCNH2
Hydrochloric Acid SCHEMBL4832771 0.81 P2RX7 (0.52) P2RX7FAAHHTR1ADRD2KCNH2
SCHEMBL4832913 0.81 P2RX7 (0.46) P2RX7FAAHHTR1ADRD2KDM4E
SCHEMBL4836758 0.77 TP53 (0.58) FAAHHTR1ADRD2KDM4EALDH1A1
SCHEMBL4832544 0.75 TP53 (0.43) P2RX7FAAHHTR1AKDM4EALDH1A1
SCHEMBL6987892 0.74 FAAH (0.42) P2RX7FAAHKDM4EALDH1A1HTT
SCHEMBL4832643 0.74 FAAH (0.45) P2RX7FAAHHTR1ADRD2KDM4E

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 P2RX7 3718/4885KCNH3 4329/4885HTR2A 2052/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 P2RX7 3815/4885KCNH3 4224/4885HTR2A 1989/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 P2RX7 3815/4885KCNH3 4224/4885HTR2A 1989/4885

“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.