SCHEMBL1163544

SCHEMBL1163544

CNCCc1cn(C)c2ccc(F)c(OC(C)c3ccccc3)c12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.38
SLC6A4 P31645 11/20 0.35
SLC6A2 P23975 2/20 0.32
HTR6 P50406 2/20 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
HTR2A P28223 2/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
HRH1 P35367 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
SCHEMBL19650679 0.81 TAAR1 (0.40) TAAR1SLC6A4SLC6A2HTR2C
SCHEMBL1162971 0.79 HTR1B (0.43) TAAR1HTR6ADRB2NQO2MTNR1A
SCHEMBL1163043 0.79 TAAR1 (0.39) TAAR1HRH1
SCHEMBL1163327 0.79 TAAR1 (0.50) TAAR1SLC6A4ADRB2HTR2AHTR2C
SCHEMBL1163044 0.78 KMT2A (0.41) SLC6A4SLC6A2HTR6ADRB2NQO2
SCHEMBL1163447 0.77 TAAR1 (0.36) TAAR1SLC6A4ADRB2NQO2MTNR1A
SCHEMBL1162934 0.77 TAAR1 (0.42) TAAR1ADRB2NQO2MTNR1AMTNR1B
SCHEMBL1163179 0.77 CARM1 (0.41) TAAR1HTR6MTNR1AMTNR1B
SCHEMBL1163156 0.76 TAAR1 (0.47) TAAR1SLC6A4HTR2AHTR2C
SCHEMBL1163481 0.75 TAAR1 (0.40) TAAR1ADRB2NQO2MTNR1AMTNR1B

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 1521/4885SLC6A4 66/4885SLC6A2 95/4885
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT TAAR1 1521/4885SLC6A4 66/4885SLC6A2 95/4885
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT TAAR1 1521/4885SLC6A4 66/4885SLC6A2 95/4885

“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.