SCHEMBL1162934

SCHEMBL1162934

CNCCc1cn(C)c2ccc(F)c(OCc3ccccc3C)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.42
HTR1A P08908 2/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
HTR2A P28223 2/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
HTR1D P28221 1/20 0.33
HTR2C P28335 1/20 0.33
MCL1 Q07820 1/20 0.33
CDK2 P24941 1/20 0.32
ADRB2 P07550 1/20 0.32
NQO2 P16083 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
MAOB P27338 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
SCHEMBL1163481 0.91 TAAR1 (0.40) TAAR1HTR1AADRA1DADRA1AADRA1B
SCHEMBL1163327 0.91 TAAR1 (0.50) TAAR1HTR2ATHRBCARM1PRMT6
SCHEMBL1163156 0.88 TAAR1 (0.47) TAAR1HTR1AADRA1DADRA1AADRA1B
SCHEMBL1162935 0.87 SLC6A4 (0.38) TAAR1HTR2AHTR2CADRB2NQO2
SCHEMBL19650679 0.86 TAAR1 (0.40) TAAR1HTR1ACARM1PRMT6HTR2C
SCHEMBL1163101 0.86 TAAR1 (0.39) TAAR1HTR2AHTR1DNQO2MTNR1A
SCHEMBL1163179 0.86 CARM1 (0.41) TAAR1CARM1PRMT6SCN8AMCL1
SCHEMBL1163182 0.85 TAAR1 (0.39) TAAR1CARM1PRMT6MCL1ADRB2
SCHEMBL1163529 0.83 MEN1 (0.37) TAAR1ALDH1A1
SCHEMBL1163355 0.83 CARM1 (0.35) TAAR1HTR2ATHRATHRBCARM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US claimed
EP-2464227-A1 COMPOUNDS AND METHODS OF USE THEREOF Galenea Corporation (US) 2012-06-20 EP claimed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US claimed
WO-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 WO claimed
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US disclosed
EP-2464227-A1 COMPOUNDS AND METHODS OF USE THEREOF Galenea Corporation (US) 2012-06-20 EP disclosed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US disclosed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US disclosed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US disclosed
WO-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 WO disclosed
WO-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 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 (3 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-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT TAAR1 1521/4885HTR1A 38/4885ADRA1D 1210/4885
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT TAAR1 1521/4885HTR1A 38/4885ADRA1D 1210/4885
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT TAAR1 1521/4885HTR1A 38/4885ADRA1D 1210/4885

“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.