SCHEMBL2405988

SCHEMBL2405988

O=C(c1nccnc1-c1ccccc1)N(CCc1c[nH]c2ccc(F)cc12)CC1CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.43
TACR2 P21452 1/20 0.43
MPO P05164 6/20 0.42
TSHR P16473 1/20 0.41
SLC6A4 P31645 7/20 0.41
HTR7 P34969 1/20 0.41
KCNH2 Q12809 1/20 0.41
HTR2A P28223 3/20 0.40
DRD2 P14416 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39

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
SCHEMBL1972598 0.95 HTR1A (0.44) HTR1ATACR2MPOSLC6A4HTR7
SCHEMBL2406656 0.93 GPR84 (0.44) HTR1ATACR2HTR2ADRD2
SCHEMBL2403134 0.92 MPO (0.43) HTR1AMPOSLC6A4HTR2A
SCHEMBL2406200 0.91 HCRTR2 (0.45) HTR1ATACR2MPOSLC6A4HTR2A
SCHEMBL2405302 0.90 TACR2 (0.43) HTR1ATACR2SLC6A4HTR7HTR2A
SCHEMBL1971402 0.90 HTR1A (0.41) HTR1ATACR2MPOSLC6A4HTR2A
SCHEMBL1969998 0.90 CDK4 (0.51) TACR2DRD2
SCHEMBL1968625 0.89 TACR2 (0.53) HTR1ATACR2HTR7HTR2A
SCHEMBL2409960 0.89 HTR1A (0.43) HTR1AMPOTSHRSLC6A4HTR7
SCHEMBL2406957 0.89 HTR1A (0.43) HTR1AMPOSLC6A4HTR2A

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 HTR1A 56/4885TACR2 90/4885MPO 3915/4885

“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.