SCHEMBL6370587

SCHEMBL6370587

NC(=O)C1CCCN1C(=O)C1CCN(c2ccncc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.46
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
ITGB3 P05106 5/20 0.42
ITGA2B P08514 5/20 0.42
VNN1 O95497 1/20 0.42
CHKA P35790 1/20 0.41
F10 P00742 2/20 0.41
HRH3 Q9Y5N1 1/20 0.40
APOL1 O14791 1/20 0.40
CYP3A4 P08684 1/20 0.40
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
MTOR P42345 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
SCHEMBL6370590 0.82 LSS (0.46) LSSITGB3ITGA2BCHKAF10
SCHEMBL2780304 0.80 CYP3A4 (0.54) LSSITGB3ITGA2BCHKAF10
SCHEMBL3103482 0.80 APOL1 (0.49) HTR1AHTR7APOL1
SCHEMBL13096971 0.80 APOL1 (0.49) HTR1AHTR7APOL1
SCHEMBL4723259 0.79 LSS (0.46) LSSITGB3ITGA2BF10CYP3A4
SCHEMBL13096962 0.78 NOTUM (0.54) HTR1AHTR7
SCHEMBL3096685 0.78 NOTUM (0.54) HTR1AHTR7
SCHEMBL3103804 0.77 HTR1A (0.46) HTR1AHTR7APOL1CYP3A4
SCHEMBL13096952 0.77 HTR1A (0.46) HTR1AHTR7APOL1CYP3A4
SCHEMBL11540429 0.77 ACE (0.42) APOL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050119266-A1 Pyrrolidine and piperidine derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-06-02 US claimed
US-20050119266-A1 Pyrrolidine and piperidine derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-06-02 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 (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-20050119266-A1 Pyrrolidine and piperidine derivatives as factor Xa inhibitors PEPD, SERPINE1, PRSS1 LSS 2166/4885HTR1A 2554/4885HTR7 2886/4885

“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.