SCHEMBL14911147

SCHEMBL14911147

CC(C)(C)OC(=O)N(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H](C(=O)OC1CCCC1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.47
SIGMAR1 Q99720 3/20 0.44
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MLNR O43193 1/20 0.38
NR1I2 O75469 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CNR1 P21554 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
MTOR P42345 1/20 0.38
RAB9A P51151 1/20 0.38
SLC6A3 Q01959 1/20 0.38
PDE3A Q14432 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL1491732 0.87 ALDH1A1 (0.44) OPRK1SIGMAR1ALDH1A1KDM4EITGA4
SCHEMBL1491730 0.87 ALDH1A1 (0.44) OPRK1SIGMAR1ALDH1A1KDM4EITGA4
SCHEMBL14911148 0.86 OPRK1 (0.44) OPRK1CCR5CACNA1BCYP2D6
SCHEMBL14917430 0.82 OPRK1 (0.41) OPRK1HTTMTORCCR5CACNA1B
SCHEMBL1491448 0.80 CCR5 (0.41) OPRK1ITGA4ITGB7HTTCCR5
SCHEMBL1491451 0.80 CCR5 (0.41) OPRK1ITGA4ITGB7HTTCCR5
SCHEMBL13743634 0.80 CYP1A2 (0.47) OPRK1SIGMAR1ALDH1A1KDM4EHTT
SCHEMBL14911161 0.79 OPRK1 (0.42) OPRK1HTTMTORSLC6A3CACNA1B
SCHEMBL16690714 0.74 CYP2D6 (0.47) OPRK1ALDH1A1ITGA4ITGB7HTT
SCHEMBL1491573 0.74 KDM4E (0.42) OPRK1ALDH1A1KDM4E

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-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 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-20130116318-A1 Enzyme Inhibitors HDAC1, HDAC11, HDAC7 OPRK1 4395/4885SIGMAR1 4183/4885ALDH1A1 220/4885

“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.