SCHEMBL1163028

SCHEMBL1163028

COc1c(F)ccc2c1c(CCN1CCc3ccccc3C1)cn2C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR1A P08908 5/20 0.41
HTR2A P28223 5/20 0.41
HTR7 P34969 5/20 0.41
DRD3 P35462 5/20 0.41
HTR2B P41595 5/20 0.41
DRD2 P14416 4/20 0.41
HRH1 P35367 4/20 0.41
SLC6A4 P31645 2/20 0.41
HTR5A P47898 1/20 0.41
ABCB1 P08183 2/20 0.41
HTR2C P28335 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL16286333 0.83 HRH3 (0.45) POLBHTR1AHTR2AHTR2C
SCHEMBL1163715 0.80 LMNA (0.47) HTR1AHTR2AHTR7DRD3HTR2B
SCHEMBL1163641 0.80 SLC6A4 (0.40) HTR1AHTR2ASLC6A4HTR2C
SCHEMBL1163517 0.77 DRD3 (0.44) HTR1AHTR2ADRD3DRD2HRH1
SCHEMBL1162983 0.75 ADRB2 (0.39) HTR1AHTR2AHTR2BHTR2C
SCHEMBL1163077 0.74 KCNH2 (0.51) TSHRHTR1ADRD3SLC6A4ABCB1
SCHEMBL8504854 0.73 TDP1 (0.54) ALDH1A1TDP1POLBMEN1KMT2A
SCHEMBL8505189 0.73 POLB (0.54) ALDH1A1TSHRTDP1POLBMEN1
SCHEMBL12596196 0.73 ADRB2 (0.38) MEN1KMT2AHTR1AHTR2AHTR2B
SCHEMBL13592835 0.73 HTR6 (0.53) HTR1AHTR2AHTR2BHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2464227-A1 COMPOUNDS AND METHODS OF USE THEREOF Galenea Corporation (US) 2012-06-20 EP 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 ALDH1A1 277/4885TSHR 3368/4885TDP1 1092/4885
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT ALDH1A1 277/4885TSHR 3368/4885TDP1 1092/4885
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT ALDH1A1 277/4885TSHR 3368/4885TDP1 1092/4885

“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.