SCHEMBL2406004

SCHEMBL2406004

Cc1ccc2c(CCN(CC3CC3)C(=O)c3nccnc3-c3ccc(C)c(C)c3)c[nH]c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 2/20 0.39
CDK4 P11802 4/20 0.37
CCND1 P24385 4/20 0.37
CDK2 P24941 2/20 0.37
HTR2A P28223 2/20 0.36
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 1/20 0.34
PTGS2 P35354 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
PTGS1 P23219 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 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
SCHEMBL2410229 0.93 MTNR1A (0.41) TACR2CDK4CCND1CDK2HTR2A
SCHEMBL2403399 0.92 HTR1A (0.41) TACR2CDK4CCND1HTR2AACHE
SCHEMBL2405431 0.92 SLC6A4 (0.39) TACR2CDK4CCND1CDK2HTR2A
SCHEMBL1967482 0.91 TACR2 (0.48) TACR2CDK4CCND1CDK2BCHE
SCHEMBL2404985 0.91 HTR6 (0.43) TACR2CDK4CCND1HTR2ABCHE
SCHEMBL2405096 0.90 TACR2 (0.43) TACR2CDK4CCND1CDK2HTR2A
SCHEMBL2406957 0.87 HTR1A (0.43) HTR2ABCHEMTNR1AMTNR1B
SCHEMBL2405957 0.86 HCRTR2 (0.47) HTR2AHTR2CHTR2BBCHEACHE
SCHEMBL2407217 0.85 TACR2 (0.37) TACR2CDK4CCND1CDK2HTR2A
SCHEMBL2407485 0.85 HCRTR2 (0.39) CDK4CCND1CDK2HTR2A

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 90/4885CDK4 3031/4885CCND1 3178/4885

“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.