SCHEMBL2404985

SCHEMBL2404985

COc1ccc2c(CCN(CC3CC3)C(=O)c3nccnc3-c3ccc(C)c(C)c3)c[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.43
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
HCRTR2 O43614 2/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
CDK4 P11802 2/20 0.39
CCND1 P24385 2/20 0.39
MAPT P10636 2/20 0.39
HTR2A P28223 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 1/20 0.37
ACHE P22303 1/20 0.37
TACR2 P21452 1/20 0.37
BCHE P06276 1/20 0.37
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL2405957 0.94 HCRTR2 (0.47) HTR6MTNR1AMTNR1BHCRTR2KMT2A
SCHEMBL2406004 0.91 TACR2 (0.39) MTNR1AMTNR1BKMT2AMEN1CDK4
SCHEMBL2409802 0.90 HTR6 (0.46) HTR6MTNR1AMTNR1BHCRTR2KMT2A
SCHEMBL2403399 0.89 HTR1A (0.41) CDK4CCND1HTR2AACHETACR2
SCHEMBL2405431 0.89 SLC6A4 (0.39) MTNR1AMTNR1BCDK4CCND1HTR2A
SCHEMBL1967482 0.88 TACR2 (0.48) KMT2AMEN1CDK4CCND1TACR2
SCHEMBL2410229 0.86 MTNR1A (0.41) HTR6MTNR1AMTNR1BHCRTR2KMT2A
SCHEMBL2405508 0.85 HCRTR2 (0.45) HTR6MTNR1AMTNR1BHCRTR2KMT2A
SCHEMBL2406957 0.84 HTR1A (0.43) MTNR1AMTNR1BHTR2ABCHE
SCHEMBL1969868 0.84 CDK4 (0.51) KMT2AMEN1CDK4CCND1MAPT

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 HTR6 177/4885MTNR1A 23/4885MTNR1B 22/4885

“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.