SCHEMBL20956776

SCHEMBL20956776

Nc1cc(F)ccc1NCC1CCCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 14/20 0.41
▸ DPP4 P27487 3/20 0.41
▸ DPP8 Q6V1X1 3/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ DPP9 Q86TI2 2/20 0.41
▸ DPP7 Q9UHL4 2/20 0.41
▸ HDAC1 Q13547 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL20956773 1.00 CHRM3 (0.41) CHRM3DPP4DPP8CYP2D6DPP9
SCHEMBL19540688 0.84 APP (0.49) CHRM3HDAC1ALDH1A1
SCHEMBL15575406 0.83 HDAC3 (0.42) DPP4DPP8DPP9DPP7HDAC1
SCHEMBL20956800 0.82 HCAR3 (0.45) ALDH1A1
SCHEMBL15575353 0.82 PTGER4 (0.52) DPP4ALDH1A1
SCHEMBL1047697 0.81 PTGER4 (0.36) DPP4DPP8CYP2D6DPP9DPP7
SCHEMBL23119908 0.80 HDAC1 (0.40) HDAC1ALDH1A1
SCHEMBL20956856 0.80 HDAC1 (0.40) DPP4DPP8DPP9DPP7HDAC1
SCHEMBL20956830 0.80 HDAC1 (0.40) DPP4DPP8DPP9DPP7HDAC1
SCHEMBL20956857 0.80 HDAC1 (0.40) DPP4DPP8DPP9DPP7HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190135794-A1 BENZIMIDAZOLE-LINKED INDOLE COMPOUND ACTING AS NOVEL DIVALENT IAP ANTAGONIST MEDSHINE DISCOVERY INC. (CN) 2019-05-09 — — 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-20190135794-A1 BENZIMIDAZOLE-LINKED INDOLE COMPOUND ACTING AS NOVEL DIVALENT IAP ANTAGONIST BIRC2, BIRC5, BIRC8 CHRM3 3644/4885DPP4 141/4885DPP8 84/4885

“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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