SCHEMBL2226765

SCHEMBL2226765

CC1OCCC1=O.NCCc1coc2cc(I)ccc12

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR2C P28335 1/20 0.38
SLC18A1 P54219 1/20 0.36
SLC18A2 Q05940 1/20 0.36
TSHR P16473 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL2225475 0.81 HTR2C (0.48) HTR1AHTR1DHTR2CSLC18A1SLC18A2
Hydrochloric Acid SCHEMBL2225035 0.80 HTR2C (0.47) HTR1AHTR1DHTR2CSLC18A1SLC18A2
SCHEMBL2227476 0.70 HTR1A (0.59) HTR1AHTR1DHTR2C
SCHEMBL1103824 0.67 SMN1; SMN2 (0.58) HTR1AHTR1DHTR2CTSHRMAPT
Hydrochloric Acid SCHEMBL7148563 0.66 SMN1; SMN2 (0.56) HTR1AHTR1DHTR2CTSHRMAPT
SCHEMBL8950177 0.64 HTR1A (0.48) HTR1AHTR1DHTR2CSLC18A1SLC18A2
SCHEMBL1104013 0.64 ADRA1A (0.53) HTR1AHTR1DHTR2CTSHRMAPT
SCHEMBL5543815 0.63 MAPT (0.36) TSHRMAPTALOX15SMN1; SMN2
SCHEMBL13505851 0.63 MTNR1A (0.46) MAPTALOX15SMN1; SMN2
SCHEMBL183398 0.62

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516445-B1 TRICYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS CEPHALON INC (US) 2015-03-11 EP disclosed
US-8765779-B2 Tricyclic derivatives and their pharmaceutical use and compositions CEPHALON, INC. (US) 2014-07-01 US disclosed
US-20120295882-A1 Tricyclic Derivatives and Their Pharmaceutical Use and Compositions CEPHALON, INC. (US) 2012-11-22 US disclosed
EP-2516445-A2 TRICYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS Cephalon, Inc. (US) 2012-10-31 EP disclosed
WO-2011087712-A2 TRICYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS CEPHALON, INC. (US) 2011-07-21 WO 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-20120295882-A1 Tricyclic Derivatives and Their Pharmaceutical Use and Compositions CYP3A43, CYP3A7, CYP2C19 HTR1A 306/4885HTR1D 228/4885HTR2C 106/4885

“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.