SCHEMBL2405210

SCHEMBL2405210

NC(=O)C(CC1CC1)c1c(Cl)cccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.38
CNR2 P34972 2/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
MAOA P21397 1/20 0.35
ADRA1D P25100 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL2854481 0.71 EPHX1 (0.47) KMT2AMEN1CYP2C9CYP2C19
SCHEMBL2404444 0.71 PARP1 (0.40) L3MBTL1
SCHEMBL2405158 0.70 ESR1 (0.41) LMNACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2408119 0.70 NR3C2 (0.39) P2RX7CNR2KMT2AMEN1CYP3A4
SCHEMBL2645073 0.70 SLC6A3 (0.46) LMNACYP3A4
SCHEMBL2645072 0.70 SLC6A3 (0.46) LMNACYP3A4
SCHEMBL2407534 0.69 ALOX5 (0.40) CNR2KMT2AMEN1LMNAPOLB
SCHEMBL3645809 0.69 EPHX1 (0.53) KMT2AMEN1LMNA
SCHEMBL2404817 0.68 L3MBTL1 (0.53) KMT2AMEN1POLBOPRK1L3MBTL1
SCHEMBL2404025 0.68 POLB (0.42) KMT2AMEN1LMNAPOLBNPSR1

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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 P2RX7 216/4885CNR2 7/4885KMT2A 253/4885

“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.