SCHEMBL2406980

SCHEMBL2406980

Cc1cccc(-c2sc(CN(C)C)nc2C(=O)N(CCc2c[nH]c3ccc(F)cc23)CC2CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.41
HCRTR2 O43614 2/20 0.40
HTR1A P08908 7/20 0.39
SLC6A4 P31645 6/20 0.38
HTR2A P28223 2/20 0.38
CDK4 P11802 2/20 0.37
CCND1 P24385 2/20 0.37
ICMT O60725 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36

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
SCHEMBL2404386 0.92 HTR1A (0.41) MPOHCRTR2HTR1ASLC6A4HTR2A
SCHEMBL2406278 0.90 HCRTR2 (0.41) MPOHCRTR2HTR1ASLC6A4HTR2A
SCHEMBL2403908 0.90 HCRTR2 (0.42) MPOHCRTR2HTR1ASLC6A4HTR2A
SCHEMBL2408924 0.89 HTR1A (0.42) MPOHCRTR2HTR1ASLC6A4HTR2A
SCHEMBL2408484 0.88 HTR1A (0.43) MPOHCRTR2HTR1ASLC6A4
SCHEMBL2405180 0.88 HCRTR2 (0.42) MPOHCRTR2HTR1ASLC6A4HTR2A
SCHEMBL2405501 0.86 HCRTR2 (0.38) MPOHCRTR2HTR1ASLC6A4HTR1D
SCHEMBL2406633 0.84 HTR1A (0.43) MPOHTR1ASLC6A4HTR2A
SCHEMBL2410549 0.84 HCRTR1 (0.46) HCRTR2HTR1A
SCHEMBL2405199 0.84 HTR1A (0.42) MPOHCRTR2HTR1ASLC6A4HTR2A

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 MPO 3915/4885HCRTR2 1/4885HTR1A 56/4885

“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.