SCHEMBL5024696

SCHEMBL5024696

O=C(O)N1CCCC1.OC[C@H]1CCCN1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 4/20 0.37
▸ DPP8 Q6V1X1 2/20 0.37
▸ DPP9 Q86TI2 2/20 0.37
▸ BIRC2 Q13490 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ FDPS P14324 1/20 0.37
▸ CA2 P00918 1/20 0.36
▸ CHKA P35790 1/20 0.36
▸ CACNA2D1 P54289 1/20 0.36
▸ CACNA1B Q00975 1/20 0.36
▸ CACNB1 Q02641 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MITF O75030 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL5014450 1.00 DPP4 (0.37) DPP4DPP8DPP9BIRC2HPGD
SCHEMBL26694628 0.84 CHRNB2 (0.42) CA2CHKAKMT2ACHRNB2CHRNA3
SCHEMBL15825441 0.81 REN (0.36) DPP4DPP8DPP9BIRC2HPGD
Acetic Acid SCHEMBL15543393 0.80 FDPS (0.42) FDPSMEN1KMT2AMITFLMNA
SCHEMBL10141198 0.79 — —
SCHEMBL115932 0.79 — —
SCHEMBL10141207 0.79 — —
SCHEMBL19071 0.79 — —
SCHEMBL7787365 0.79 FDPS (0.41) FDPSMEN1KMT2ALMNATP53
SCHEMBL145266 0.79 — —

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-7432255-B2 1H-indol-5-yl-piperazin-1-yl-methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2008-10-07 — — US disclosed
US-20070270423-A1 IH-indol-5-YL-piperazin-1-YL-methanone derivatives HOFFMANN-LA ROCHE INC. 2007-11-22 — — 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-20070270423-A1 IH-indol-5-YL-piperazin-1-YL-methanone derivatives HRH4, HRH2, HRH3 DPP4 2121/4885DPP8 2683/4885DPP9 3299/4885

“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.

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