SCHEMBL3107396

SCHEMBL3107396

O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCC(C(=O)O)(c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
KDM4E B2RXH2 1/20 0.58
ABL1 P00519 1/20 0.58
L3MBTL1 Q9Y468 8/20 0.53
CHRM4 P08173 1/20 0.51
HTT P42858 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 1/20 0.51
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.50
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
SERPINE1 P05121 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
PTGES O14684 1/20 0.46
HPGD P15428 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
SCHEMBL3104185 0.85 NOTUM (0.52) MAPTKMT2ACHRM2
SCHEMBL13092217 0.85 KMT2A (0.52) LMNAKDM4EABL1L3MBTL1CHRM4
SCHEMBL3230428 0.82 CHRM4 (0.51) CHRM4CHRM2CHRM1
SCHEMBL3088865 0.79 KDM4E (0.50) KDM4EL3MBTL1MAPTMEN1KMT2A
SCHEMBL3106908 0.79 KDM4E (0.53) LMNAKDM4EL3MBTL1HTTSMN1; SMN2
SCHEMBL3097486 0.78 CHRM4 (0.51) LMNAKDM4EL3MBTL1CHRM4HTT
SCHEMBL327492 0.78 LMNA (0.78) LMNAKDM4EABL1L3MBTL1CHRM4
SCHEMBL31381261 0.78 LMNA (0.78) LMNAKDM4EABL1L3MBTL1CHRM4
SCHEMBL3860897 0.77 KDM4E (0.65) LMNAKDM4EABL1L3MBTL1CHRM4
SCHEMBL436012 0.76 TACR3 (0.52) KDM4ECHRM4SMN1; SMN2MAPTMEN1

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-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 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-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HTR3A, OPRL1, OPRK1 LMNA 4690/4885KDM4E 2560/4885ABL1 1060/4885

“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.