SCHEMBL2409960

SCHEMBL2409960

COc1cccc(-c2nccnc2C(=O)N(CCc2c[nH]c3ccc(F)cc23)CC2CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.43
SLC6A4 P31645 2/20 0.43
ACHE P22303 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HCRTR2 O43614 2/20 0.40
HCRTR1 O43613 1/20 0.40
CYP1A2 P05177 4/20 0.40
CYP2D6 P10635 4/20 0.40
CYP2C9 P11712 4/20 0.40
USP2 O75604 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C19 P33261 3/20 0.40
CLK4 Q9HAZ1 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40

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
SCHEMBL1969868 0.91 CDK4 (0.51) ACHECDK4CCND1KMT2AMAPT
SCHEMBL2406200 0.90 HCRTR2 (0.45) HTR1ASLC6A4CDK4CCND1HCRTR2
SCHEMBL2405988 0.89 HTR1A (0.43) HTR1ASLC6A4MPOHTR2AHTR7
SCHEMBL1974095 0.89 KMT2A (0.43) HTR1ASLC6A4KMT2AMAPTCYP1A2
SCHEMBL2403866 0.88 KMT2A (0.50) HTR1AACHEKMT2AHCRTR2HCRTR1
SCHEMBL1972598 0.87 HTR1A (0.44) HTR1ASLC6A4CDK4CCND1MPO
SCHEMBL1971402 0.87 HTR1A (0.41) HTR1ASLC6A4HCRTR2HCRTR1MPO
SCHEMBL1974366 0.86 HTR6 (0.43) HTR1AACHECDK4CCND1MTNR1A
SCHEMBL2406957 0.86 HTR1A (0.43) HTR1ASLC6A4MPOMTNR1AMTNR1B
SCHEMBL2403134 0.86 MPO (0.43) HTR1ASLC6A4MPOMTNR1AMTNR1B

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 781/4885ACHE 1608/4885

“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.