SCHEMBL3438874

SCHEMBL3438874

C=C(Nc1cccc(NC(=O)[C@H]2CC2(C)C)c1C(C)(C)C)[C@H]1CC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
AAK1 Q2M2I8 1/20 0.39
ACKR3 P25106 1/20 0.38
NPSR1 Q6W5P4 2/20 0.36
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
SRD5A2 P31213 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HTR1E P28566 1/20 0.32
HTT P42858 1/20 0.32
PAX8 Q06710 1/20 0.32
ATM Q13315 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RIPK1 Q13546 3/20 0.31

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
SCHEMBL10046432 0.92 GAA (0.46) GAAAAK1ACKR3NPSR1CRHBP
SCHEMBL15120774 0.75 GAA (0.49) GAAAAK1NPSR1CRHBPCRHR2
SCHEMBL10084269 0.72 GAA (0.46) GAAAAK1ACKR3NPSR1CRHBP
SCHEMBL15119804 0.70 CETP (0.56) GAANPSR1KMT2ALMNAHPGD
SCHEMBL3438880 0.66 HTT (0.50) GAAMEN1KMT2ALMNAMAPT
SCHEMBL10046434 0.66 SMN1; SMN2 (0.58) GAAMEN1KMT2AMAPTHPGD
SCHEMBL10073854 0.65 HSD17B10 (0.64) MEN1KMT2ALMNAHPGDHTT
SCHEMBL3438878 0.65 CETP (0.58) NPSR1MEN1KMT2ALMNAMAPT
SCHEMBL13999156 0.64 ALDH1A1 (0.43) GAAAAK1NPSR1MEN1KMT2A
SCHEMBL10826670 0.63 GAA (0.43) GAAAAK1ACKR3NPSR1MEN1

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-20120101271-A1 DIAMINE SYNTHESIS VIA CATALYTIC C-H AMINATION OF AZIDES NATIONAL SCIENCE FOUNDATION 2012-04-26 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-20120101271-A1 DIAMINE SYNTHESIS VIA CATALYTIC C-H AMINATION OF AZIDES DOHH, AOC1, ESD GAA 3430/4885AAK1 2198/4885ACKR3 2213/4885

“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.