SCHEMBL3050028

SCHEMBL3050028

CN(C(=O)c1ccc2ccccc2c1)[C@@H](CCN)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.47
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
F2 P00734 2/20 0.42
F10 P00742 1/20 0.42
F7 P08709 1/20 0.42
PLAU P00749 1/20 0.41
OPRM1 P35372 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PIN1 Q13526 1/20 0.41
METAP2 P50579 1/20 0.40
TPH1 P17752 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
GRIN1 Q05586 1/20 0.39

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
SCHEMBL3058126 1.00 ACHE (0.47) ACHEHCRTR1HCRTR2F2F10
SCHEMBL3055262 1.00 ACHE (0.47) ACHEHCRTR1HCRTR2F2F10
SCHEMBL3047608 0.91 MEN1 (0.47) ACHEF2F10F7
SCHEMBL3055134 0.91 MAPK14 (0.47) ACHEF2F10F7KDM4E
SCHEMBL3055358 0.91 MAPK14 (0.47) ACHEF2F10F7KDM4E
SCHEMBL3047611 0.91 MEN1 (0.47) ACHEF2F10F7
SCHEMBL3059938 0.86 HTR1A (0.47) HCRTR1HCRTR2F2HPGD
SCHEMBL3045271 0.86 HTR1A (0.47) HCRTR1HCRTR2F2HPGD
SCHEMBL3058403 0.86 HTR1A (0.47) HCRTR1HCRTR2F2HPGD
SCHEMBL3058124 0.85 ACHE (0.47) ACHEHCRTR1HCRTR2F2F10

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 ACHE 868/4885HCRTR1 3230/4885HCRTR2 3029/4885

“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.