SCHEMBL2403466

SCHEMBL2403466

Cc1ccc(-c2nccnc2C(=O)N(CCc2c[nH]c3cccc(F)c23)CC2CC2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
TACR2 P21452 2/20 0.36
CDK4 P11802 3/20 0.33
CCND1 P24385 3/20 0.33
FFAR1 O14842 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33
HTR1F P30939 1/20 0.33
LPAR1 Q92633 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32
PKM P14618 1/20 0.32
REN P00797 2/20 0.32
KCNH2 Q12809 1/20 0.32
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL2406202 0.89 HTR2A (0.43) HTR2AHTR2CHTR2BTACR2CDK4
SCHEMBL2404868 0.88 MPO (0.38) TACR2CDK4CCND1GPR84OXTR
SCHEMBL1967482 0.87 TACR2 (0.48) TACR2CDK4CCND1
SCHEMBL2406567 0.85 HTR2A (0.41) HTR2AHTR2CHTR2B
SCHEMBL2403399 0.85 HTR1A (0.41) HTR2ATACR2CDK4CCND1OXTR
SCHEMBL2406957 0.85 HTR1A (0.43) HTR2A
SCHEMBL1971560 0.85 TACR2 (0.46) TACR2CDK4CCND1PDE10A
SCHEMBL2407217 0.83 TACR2 (0.37) HTR2ATACR2CDK4CCND1OXTR
SCHEMBL2406004 0.83 TACR2 (0.39) HTR2AHTR2CHTR2BTACR2CDK4
SCHEMBL2410229 0.83 MTNR1A (0.41) HTR2AHTR2CHTR2BTACR2CDK4

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.