SCHEMBL2408351

SCHEMBL2408351

COc1ccc(-c2nccnc2C(=O)N(CCc2c[nH]c3c(C)cccc23)CC2CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.40
CCND1 P24385 4/20 0.40
TACR2 P21452 2/20 0.36
HTR2A P28223 1/20 0.35
HAT1 O14929 2/20 0.35
EP300 Q09472 2/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTR6 P50406 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
WDR5 P61964 2/20 0.34
ALDH1A1 P00352 1/20 0.33
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33

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
SCHEMBL2406987 0.91 TACR2 (0.40) CDK4CCND1TACR2HTR2AMAPT
SCHEMBL2403278 0.90 TACR2 (0.35) CDK4CCND1TACR2HTR2AMAPT
SCHEMBL2404564 0.90 TACR2 (0.37) TACR2HTR2AMAPTSMN1; SMN2NPSR1
SCHEMBL2407217 0.89 TACR2 (0.37) CDK4CCND1TACR2HTR2AMAPT
SCHEMBL2409274 0.87 TACR2 (0.39) CDK4CCND1TACR2HTR2AMAPT
SCHEMBL1973164 0.86 HTR6 (0.45) CDK4CCND1TACR2HTR2AHTR6
SCHEMBL2406365 0.85 HTR6 (0.46) CDK4CCND1TACR2HTR2AHTR6
SCHEMBL2406776 0.85 HTR6 (0.43) CDK4CCND1TACR2HTR2AHTR6
SCHEMBL1974366 0.84 HTR6 (0.43) CDK4CCND1TACR2HTR2AHTR6
SCHEMBL1974495 0.83 HTR6 (0.41) CDK4CCND1TACR2HTR2AHTR6

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 CDK4 3031/4885CCND1 3178/4885TACR2 90/4885

“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.