SCHEMBL2409520

SCHEMBL2409520

COc1cncc(-c2cccnc2C(=O)N(CCc2c[nH]c3ccc(F)cc23)CC2CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.40
SLC6A4 P31645 4/20 0.40
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2C19 P33261 3/20 0.39
CLK4 Q9HAZ1 3/20 0.39
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MPO P05164 2/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
KMT2A Q03164 1/20 0.38
CLK1 P49759 2/20 0.38
DYRK1A Q13627 2/20 0.38
USP2 O75604 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
SPR P35270 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL2403460 0.90 HCRTR2 (0.41) HTR1ASLC6A4MPOHCRTR2HTR2A
SCHEMBL2405442 0.90 TDO2 (0.42) HTR1ASLC6A4MPOHCRTR2SPR
SCHEMBL2405610 0.88 MPO (0.42) HTR1ASLC6A4MPOHCRTR2HTR2A
SCHEMBL2404930 0.87 HTR1A (0.42) HTR1ASLC6A4MPOHTR2A
SCHEMBL2410778 0.85 CCKBR (0.43) HTR1ASLC6A4MPO
SCHEMBL2404963 0.85 HCRTR2 (0.49) HTR1ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2408121 0.85 HCRTR2 (0.46) HTR1ASLC6A4MPOHCRTR2HTR2A
SCHEMBL2407834 0.85 HTR1A (0.42) HTR1ASLC6A4MPOHTR2A
SCHEMBL2405515 0.84 CYP1A2 (0.41) HTR1ASLC6A4CYP1A2CYP3A4CYP2D6
SCHEMBL2409960 0.84 HTR1A (0.43) HTR1ASLC6A4CYP1A2CYP3A4CYP2D6

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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US claimed
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 HTR1A 56/4885SLC6A4 781/4885CYP1A2 1070/4885

“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.