SCHEMBL3050474

SCHEMBL3050474

CN(C(=O)c1ccccc1)[C@H](CCN)Cc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
HTR1A P08908 1/20 0.41
KMT2A Q03164 2/20 0.39
LPAR1 Q92633 3/20 0.38
LPAR5 Q9H1C0 3/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
MEN1 O00255 1/20 0.38
CCR5 P51681 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL3053958 1.00 TDP1 (0.41) TDP1HTR1AKMT2ALPAR1LPAR5
SCHEMBL3058403 0.91 HTR1A (0.47) HTR1AKMT2AHCRTR1HCRTR2MEN1
SCHEMBL3045271 0.91 HTR1A (0.47) HTR1AKMT2AHCRTR1HCRTR2MEN1
SCHEMBL3059938 0.91 HTR1A (0.47) HTR1AKMT2AHCRTR1HCRTR2MEN1
SCHEMBL3040851 0.87 NPY5R (0.41) HTR1AHCRTR1HCRTR2ALDH1A1
SCHEMBL3053994 0.87 NPY5R (0.41) HTR1AHCRTR1HCRTR2ALDH1A1
SCHEMBL3052731 0.86 HCRTR1 (0.39) TDP1HTR1AKMT2AHCRTR1HCRTR2
SCHEMBL3057175 0.86 HCRTR1 (0.39) TDP1HTR1AKMT2AHCRTR1HCRTR2
SCHEMBL3055358 0.86 MAPK14 (0.47) KMT2A
SCHEMBL3055134 0.86 MAPK14 (0.47) KMT2A

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-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 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-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES CYP11B2, CYP11B1, BBC3 TDP1 1379/4885HTR1A 1265/4885KMT2A 3047/4885

“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.