SCHEMBL2406987

SCHEMBL2406987

Cc1cccc2c(CCN(CC3CC3)C(=O)c3nccnc3-c3ccccc3)c[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 2/20 0.40
HTR2A P28223 1/20 0.38
MAPT P10636 2/20 0.38
MC4R P32245 2/20 0.38
MC5R P33032 2/20 0.38
MC3R P41968 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CDK4 P11802 4/20 0.36
CCND1 P24385 4/20 0.36
CDK2 P24941 2/20 0.36
PDE10A Q9Y233 1/20 0.35
OXTR P30559 1/20 0.34
AVPR1A P37288 1/20 0.34
BCHE P06276 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL2408351 0.91 CDK4 (0.40) TACR2HTR2AMAPTSMN1; SMN2NPSR1
SCHEMBL2407217 0.91 TACR2 (0.37) TACR2HTR2AMAPTMC4RMC5R
SCHEMBL2409274 0.91 TACR2 (0.39) TACR2HTR2AMAPTMC4RMC5R
SCHEMBL2410775 0.90 MPO (0.41) TACR2MC4RMC5RMC3RCDK4
SCHEMBL2406365 0.89 HTR6 (0.46) TACR2HTR2ACDK4CCND1BCHE
SCHEMBL2404564 0.89 TACR2 (0.37) TACR2HTR2AMAPTMC4RMC5R
SCHEMBL2403278 0.87 TACR2 (0.35) TACR2HTR2AMAPTSMN1; SMN2NPSR1
SCHEMBL2406280 0.87 HTR2A (0.40) TACR2HTR2AMAPTMC4RMC5R
SCHEMBL1968625 0.87 TACR2 (0.53) TACR2HTR2AMC4RMC5RMC3R
SCHEMBL2405096 0.84 TACR2 (0.43) TACR2HTR2AMC4RMC5RMC3R

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.