SCHEMBL5409925

SCHEMBL5409925

O=C(CNc1ccccc1Cl)N1CCC(CNc2ccncc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.55
CYP2D6 P10635 3/20 0.55
CYP2C9 P11712 3/20 0.55
SCD O00767 10/20 0.45
FAAH O00519 1/20 0.44
POLB P06746 1/20 0.43
ROCK2 O75116 1/20 0.43
CYP3A4 P08684 2/20 0.43
EPHX2 P34913 1/20 0.43
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40

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
SCHEMBL6421169 0.87 GRIN2B (0.66) GRIN2BCYP2D6CYP2C9FAAHCYP3A4
SCHEMBL5399467 0.85 GRIN2B (0.58) GRIN2BCYP2D6CYP2C9SCDFAAH
SCHEMBL5399959 0.84 GRIN2B (0.53) GRIN2BCYP2D6CYP2C9SCDPOLB
SCHEMBL5412796 0.82 SCD (0.45) GRIN2BCYP2D6CYP2C9SCDFAAH
SCHEMBL6582862 0.80 SCD (0.43) GRIN2BCYP2D6CYP2C9SCDFAAH
SCHEMBL6586187 0.79 SCD (0.45) SCD
SCHEMBL6580888 0.77 SCD (0.43) GRIN2BSCDEPHX2
SCHEMBL6586267 0.77 SCD (0.51) GRIN2BSCDFAAHEPHX2
Hydrochloric Acid SCHEMBL6583478 0.77 F10 (0.46) GRIN2BCYP2D6CYP2C9SCDPOLB
SCHEMBL5396575 0.76 SCD (0.44) GRIN2BCYP2D6CYP2C9SCDFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7294627-B2 Chemical compounds ELI LILLY AND COMPANY (US) 2007-11-13 US disclosed
US-20040249151-A1 Factor Xa inhibitors, useful in therapy of thrombotic disorders ELI LILLY AND COMPANY 2004-12-09 US disclosed
EP-1455788-A1 1-GLYCINYL-4-AMINOMETHYL-PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS ELI LILLY AND COMPANY (US) 2004-09-15 EP disclosed
WO-2003049737-A1 CHEMICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2003-06-19 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 (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-20040249151-A1 Factor Xa inhibitors, useful in therapy of thrombotic disorders F11, SERPINC1, F2 GRIN2B 3372/4885CYP2D6 1854/4885CYP2C9 947/4885

“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.