SCHEMBL2406280

SCHEMBL2406280

Cc1cccc2c(CCN(CC3CC3)C(=O)c3nccnc3Cl)c[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.40
TACR2 P21452 2/20 0.40
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BCHE P06276 2/20 0.35
MC4R P32245 2/20 0.35
MC5R P33032 2/20 0.35
MC3R P41968 2/20 0.35
SLC6A4 P31645 1/20 0.35
ACHE P22303 1/20 0.34
HTR1A P08908 1/20 0.34
SOS2 Q07890 1/20 0.34
BRPF1 P55201 1/20 0.34
DRD2 P14416 1/20 0.34
PKM P14618 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 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
SCHEMBL2406987 0.87 TACR2 (0.40) HTR2ATACR2MAPTSMN1; SMN2NPSR1
SCHEMBL2407217 0.85 TACR2 (0.37) HTR2ATACR2MAPTSMN1; SMN2NPSR1
SCHEMBL2409274 0.85 TACR2 (0.39) HTR2ATACR2MAPTSMN1; SMN2NPSR1
SCHEMBL2408351 0.83 CDK4 (0.40) HTR2ATACR2MAPTSMN1; SMN2NPSR1
SCHEMBL2404564 0.83 TACR2 (0.37) HTR2ATACR2MAPTSMN1; SMN2NPSR1
SCHEMBL2403278 0.81 TACR2 (0.35) HTR2ATACR2MAPTSMN1; SMN2NPSR1
SCHEMBL2405583 0.80 OXTR (0.36) HTR2ATACR2MAPTSMN1; SMN2NPSR1
SCHEMBL1975037 0.79 HTR6 (0.43) HTR2ATACR2BCHEACHEHTR1A
SCHEMBL2404868 0.78 MPO (0.38) TACR2BCHESLC6A4HTR1APKM
SCHEMBL1970137 0.77 TACR2 (0.49) HTR2ATACR2MAPTBCHEMC4R

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 1 patent. 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 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 HTR2A 46/4885TACR2 90/4885MAPT 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.