SCHEMBL3327013

SCHEMBL3327013

O=C(CNC(=O)C1CCNCC1)c1ccc(F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 2/20 0.44
▸ ITGA2B P08514 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ CES2 O00748 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ GNAI3 P08754 1/20 0.39
▸ GNAO1 P09471 1/20 0.39
▸ GNAI1 P63096 1/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ TAS1R2 Q8TE23 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PREP P48147 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
SCHEMBL3330232 0.88 ALDH1A1 (0.53) ITGB3ITGA2BALDH1A1SMN1; SMN2CHRM1
SCHEMBL4027409 0.78 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2CHRM1CHRM3EPHX2
SCHEMBL1143597 0.76 MEN1 (0.58) ALDH1A1CES2CES1TAS1R3TAS1R1
SCHEMBL20491195 0.75 KMT2A (0.51) ITGB3ITGA2BALDH1A1SMN1; SMN2KMT2A
SCHEMBL20491395 0.75 CES2 (0.52) ALDH1A1CES2CES1DPP4MEN1
SCHEMBL30298669 0.72 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2CHRM1CHRM3EPHX2
SCHEMBL23014274 0.72 KMT2A (0.49) ITGB3ITGA2BALDH1A1SMN1; SMN2MEN1
SCHEMBL11667876 0.71 NPC1 (0.50) ALDH1A1SMN1; SMN2GNAI3GNAO1GNAI1
SCHEMBL15732620 0.71 POLB (0.43) ITGB3ITGA2BEPHX2KMT2AHSD11B1
SCHEMBL15732637 0.70 NOTUM (0.45) ITGB3ITGA2BEPHX2TAS1R3TAS1R1

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-20100120801-A1 AKT AND P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2010-05-13 — — 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-20100120801-A1 AKT AND P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, MTOR ITGB3 3894/4885ITGA2B 3448/4885ALDH1A1 4352/4885

“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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