SCHEMBL2227476

SCHEMBL2227476

NCCc1coc2ccc(I)cc12

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.59
HTR1D P28221 2/20 0.59
HTR2C P28335 2/20 0.59
MTNR1B P49286 2/20 0.39
MTNR1A P48039 9/20 0.36
TAAR1 Q96RJ0 1/20 0.36
NQO2 P16083 2/20 0.36
PDE10A Q9Y233 1/20 0.35

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 0.86 HTR2C (0.48) HTR1AHTR1DHTR2CTAAR1
Hydrochloric Acid SCHEMBL2225035 0.85 HTR2C (0.47) HTR1AHTR1DHTR2CTAAR1
SCHEMBL8950172 0.79 HTR1A (0.59) HTR1AHTR1DHTR2CMTNR1BMTNR1A
Hydrochloric Acid SCHEMBL7148554 0.78 HTR1D (0.57) HTR1AHTR1DHTR2CMTNR1BTAAR1
SCHEMBL9122419 0.76 MTNR1A (0.61) HTR1AHTR1DHTR2CMTNR1BMTNR1A
Hydrochloric Acid SCHEMBL20545631 0.74 MTNR1A (0.60) HTR1AHTR1DHTR2CMTNR1BMTNR1A
SCHEMBL7834882 0.74 HTR1A (0.78) HTR1AHTR1DHTR2CMTNR1BMTNR1A
SCHEMBL13505450 0.74 MTNR1A (0.53) MTNR1BMTNR1ANQO2
SCHEMBL140189 0.74 HTR1D (0.53) HTR1AHTR1DHTR2CTAAR1
SCHEMBL3046007 0.73 ALOX15 (0.58) HTR1AHTR1DHTR2CMTNR1A

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 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.