SCHEMBL22317342

SCHEMBL22317342

CCCCC(C)(C)C(=O)NCCN(C)C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.51
CNR1 P21554 1/20 0.44
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
EPHX1 P07099 1/20 0.40
GLA P06280 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 1/20 0.35
USP2 O75604 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL22317517 0.95 DNM1 (0.54) DNM1CNR1DRD2DRD4EPHX1
SCHEMBL21017146 0.93 DNM1 (0.57) DNM1CNR1DRD2DRD4EPHX1
SCHEMBL24401517 0.86 DNM1 (0.51) DNM1CNR1EPHX1GLATHRA
SCHEMBL22317611 0.83 DNM1 (0.49) DNM1CNR1EPHX1GLATHRA
SCHEMBL21017828 0.83 DNM1 (0.49) DNM1CNR1EPHX1GLATHRA
SCHEMBL10879405 0.82 DNM1 (0.45) DNM1CNR1ALDH1A1KDM4E
SCHEMBL24926365 0.82 DNM1 (0.55) DNM1CNR1EPHX1THRATHRB
SCHEMBL409080 0.82 DNM1 (0.44) DNM1DRD2DRD4CA1CA2
SCHEMBL19966857 0.80 CNR1 (0.63) CNR1DRD2DRD4EPHX1ALDH1A1
SCHEMBL17447537 0.80 ALDH1A1 (0.48) DNM1CNR1DRD2DRD4EPHX1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11208405-B2 Pyrrole derivatives as PLK1 inhibitors SENTINEL ONCOLOGY LIMITED (GB) 2021-12-28 US disclosed
US-20200247796-A1 PYRROLE DERIVATIVES AS PLK1 INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2020-08-06 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 (2 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-20200247796-A1 PYRROLE DERIVATIVES AS PLK1 INHIBITORS PLK1, CDK1, AURKC DNM1 1315/4885CNR1 461/4885DRD2 2758/4885
US-11208405-B2 Pyrrole derivatives as PLK1 inhibitors PLK1, CDK1, AURKC DNM1 1315/4885CNR1 461/4885DRD2 2758/4885

“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.