SCHEMBL2409274

SCHEMBL2409274

Cc1cccc2c(CCN(CC3CC3)C(=O)c3nccnc3-c3cncnc3)c[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 2/20 0.39
HTR2A P28223 1/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BCHE P06276 2/20 0.33
MC4R P32245 1/20 0.33
MC5R P33032 1/20 0.33
MC3R P41968 1/20 0.33
CDK2 P24941 2/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
ACHE P22303 1/20 0.32
CCNT1 O60563 1/20 0.32
CCNK O75909 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK9 P50750 1/20 0.32
CDK12 Q9NYV4 1/20 0.32

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) TACR2HTR2AMAPTSMN1; SMN2NPSR1
SCHEMBL2404564 0.90 TACR2 (0.37) TACR2HTR2AMAPTSMN1; SMN2NPSR1
SCHEMBL2407217 0.89 TACR2 (0.37) TACR2HTR2AMAPTSMN1; SMN2NPSR1
SCHEMBL2408351 0.87 CDK4 (0.40) TACR2HTR2AMAPTSMN1; SMN2NPSR1
SCHEMBL2403278 0.87 TACR2 (0.35) TACR2HTR2AMAPTSMN1; SMN2NPSR1
SCHEMBL2406280 0.85 HTR2A (0.40) TACR2HTR2AMAPTSMN1; SMN2NPSR1
SCHEMBL2404868 0.82 MPO (0.38) TACR2BCHECDK4CCND1OXTR
SCHEMBL2410775 0.81 MPO (0.41) TACR2MC4RMC5RMC3RCDK2
SCHEMBL2406776 0.80 HTR6 (0.43) TACR2HTR2ABCHECDK4CCND1
SCHEMBL2406365 0.80 HTR6 (0.46) TACR2HTR2ABCHECDK4CCND1

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 TACR2 90/4885HTR2A 46/4885MAPT 1419/4885

“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.