SCHEMBL13892124

SCHEMBL13892124

O=C(O)N1CCc2cc(F)ccc2C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ESR1 P03372 4/20 0.50
ESR2 Q92731 4/20 0.50
DPP9 Q86TI2 5/20 0.49
DPP4 P27487 5/20 0.49
DPP8 Q6V1X1 4/20 0.49
DPP7 Q9UHL4 3/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 3/20 0.48
NOTUM Q6P988 1/20 0.46
CCR3 P51677 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL30261110 0.93 ALDH1A1 (0.51) ALDH1A1HPGDSMN1; SMN2ESR1ESR2
SCHEMBL3660060 0.86 DPP9 (0.58) DPP9DPP4DPP8DPP7
SCHEMBL25605602 0.85 NOTUM (0.63) ALDH1A1HPGDSMN1; SMN2ESR1ESR2
SCHEMBL23335841 0.83 L3MBTL1 (0.54) ALDH1A1HPGDSMN1; SMN2ESR1ESR2
SCHEMBL19932177 0.82 DPP4 (0.52) ALDH1A1HPGDSMN1; SMN2ESR1ESR2
SCHEMBL3171430 0.81 ESR2 (0.68) ESR1ESR2NOTUMMEN1KMT2A
SCHEMBL381428 0.80 NR1H2 (0.56) SMN1; SMN2ESR1ESR2NPC1RAB9A
SCHEMBL587507 0.80 ABHD6 (0.59) HPGDSMN1; SMN2ESR1ESR2DPP9
SCHEMBL2573737 0.80 ADRA1A (0.52) ALDH1A1DPP9DPP4DPP8NOTUM
SCHEMBL2930510 0.80 ESR2 (0.54) ESR1ESR2DPP4DPP7NOTUM

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-8575158-B2 1-phenyl-substituted heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-05 US disclosed
US-20090111982-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-30 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-20090111982-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 ALDH1A1 2109/4885HPGD 2920/4885SMN1; SMN2 748/4885

“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.