SCHEMBL2406202

SCHEMBL2406202

O=C(c1nccnc1-c1ccccc1)N(CCc1c[nH]c2cccc(F)c12)CC1CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
TACR2 P21452 2/20 0.40
FFAR1 O14842 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
MC4R P32245 2/20 0.36
MC5R P33032 2/20 0.36
MC3R P41968 2/20 0.36
PKM P14618 1/20 0.35
PDE10A Q9Y233 1/20 0.35
CDK4 P11802 3/20 0.34
CCND1 P24385 3/20 0.34
CDK2 P24941 1/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR5 Q9H1C0 1/20 0.34
HTR1F P30939 1/20 0.33
TGM2 P21980 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
SCHEMBL2403466 0.89 HTR2A (0.41) HTR2AHTR2CHTR2BTACR2FFAR1
SCHEMBL1968625 0.87 TACR2 (0.53) HTR2AHTR2CHTR2BTACR2MC4R
SCHEMBL2410775 0.86 MPO (0.41) TACR2GPR84MC4RMC5RMC3R
SCHEMBL2406656 0.84 GPR84 (0.44) HTR2ATACR2GPR84MC4RMC5R
SCHEMBL2405988 0.84 HTR1A (0.43) HTR2ATACR2
SCHEMBL1969998 0.83 CDK4 (0.51) TACR2GPR84MC4RMC5RMC3R
SCHEMBL2405096 0.80 TACR2 (0.43) HTR2AHTR2CHTR2BTACR2MC4R
SCHEMBL2405302 0.80 TACR2 (0.43) HTR2AHTR2CHTR2BTACR2MC4R
SCHEMBL2404161 0.80 TACR2 (0.43) TACR2GPR84MC4RMC5RMC3R
SCHEMBL1972300 0.80 CDK4 (0.49) TACR2MC4RMC5RMC3RCDK4

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 HTR2A 46/4885HTR2C 80/4885HTR2B 35/4885

“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.