SCHEMBL2225475

SCHEMBL2225475

NCCc1coc2cc(I)ccc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.48
HTR1A P08908 2/20 0.48
HTR1D P28221 2/20 0.48
SLC18A1 P54219 1/20 0.39
SLC18A2 Q05940 1/20 0.39
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TAAR1 Q96RJ0 2/20 0.36
PIM1 P11309 1/20 0.33
HTR2A P28223 2/20 0.32
HTR6 P50406 1/20 0.31

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
Hydrochloric Acid SCHEMBL2225035 0.98 HTR2C (0.47) HTR2CHTR1AHTR1DSLC18A1SLC18A2
SCHEMBL2227476 0.86 HTR1A (0.59) HTR2CHTR1AHTR1DTAAR1
SCHEMBL2226765 0.81 HTR1A (0.38) HTR2CHTR1AHTR1DSLC18A1SLC18A2
SCHEMBL1103824 0.79 SMN1; SMN2 (0.58) HTR2CHTR1AHTR1DMAPTALOX15
SCHEMBL8950177 0.79 HTR1A (0.48) HTR2CHTR1AHTR1DSLC18A1SLC18A2
Hydrochloric Acid SCHEMBL7148563 0.78 SMN1; SMN2 (0.56) HTR2CHTR1AHTR1DMAPTALOX15
SCHEMBL1104013 0.76 ADRA1A (0.53) HTR2CHTR1AHTR1DMAPTTAAR1
SCHEMBL2224710 0.75 SMN1; SMN2 (0.36) MAPTALOX15SMN1; SMN2PIM1
SCHEMBL13505851 0.74 MTNR1A (0.46) MAPTALOX15SMN1; SMN2
SCHEMBL30396397 0.74 HTR1D (0.53) HTR2CHTR1AHTR1DTAAR1HTR2A

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 11 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
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-8765779-B2 Tricyclic derivatives and their pharmaceutical use and compositions CEPHALON, INC. (US) 2014-07-01 US 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
US-20120295882-A1 Tricyclic Derivatives and Their Pharmaceutical Use and Compositions CEPHALON, INC. (US) 2012-11-22 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
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 HTR2C 106/4885HTR1A 306/4885HTR1D 228/4885

“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.