SCHEMBL2409802

SCHEMBL2409802

COc1ccc2c(CCN(CC3CC3)C(=O)c3nccnc3-c3ccccc3)c[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 1/20 0.44
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
CDK4 P11802 2/20 0.42
CCND1 P24385 2/20 0.42
ACHE P22303 1/20 0.41
TACR2 P21452 1/20 0.41
HTR2A P28223 1/20 0.40
TRPV1 Q8NER1 3/20 0.39
FAAH O00519 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HCRTR2 O43614 2/20 0.39
HCRTR1 O43613 1/20 0.39
CDK2 P24941 1/20 0.38

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
SCHEMBL2403866 0.94 KMT2A (0.50) HTR6KMT2AMEN1MTNR1AMTNR1B
SCHEMBL2404985 0.90 HTR6 (0.43) HTR6KMT2AMEN1MAPTMTNR1A
SCHEMBL1969868 0.90 CDK4 (0.51) KMT2AMEN1MAPTCDK4CCND1
SCHEMBL2405096 0.89 TACR2 (0.43) HTR6CDK4CCND1TACR2HTR2A
SCHEMBL2406656 0.88 GPR84 (0.44) HTR6CDK4CCND1ACHETACR2
SCHEMBL2404161 0.88 TACR2 (0.43) CDK4CCND1TACR2CDK2
SCHEMBL1968625 0.87 TACR2 (0.53) HTR6CDK4CCND1TACR2HTR2A
SCHEMBL1971969 0.85 CDK4 (0.46) KMT2AMEN1MAPTCDK4CCND1
SCHEMBL2405302 0.84 TACR2 (0.43) HTR6KMT2AMEN1MAPTMTNR1A
SCHEMBL2409960 0.84 HTR1A (0.43) HTR6KMT2AMEN1MAPTMTNR1A

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 177/4885KMT2A 253/4885MEN1 525/4885

“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.