SCHEMBL1163191

SCHEMBL1163191

CCOc1c(F)ccc2c1c(CCN1CCCC1)cn2C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.37
HTR1A P08908 2/20 0.37
ALDH1A1 P00352 5/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
HTR1D P28221 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
KDM4E B2RXH2 3/20 0.34
TSHR P16473 2/20 0.34
ATM Q13315 1/20 0.34
GLA P06280 1/20 0.34
MPO P05164 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL1163894 0.90 ALDH1A1 (0.38) HRH3HTR1AALDH1A1HTR1DHTR2A
SCHEMBL16286333 0.88 HRH3 (0.45) HRH3HTR1AHTR1DHTR2AHTR2C
SCHEMBL13592843 0.80 HTR2C (0.50) HTR1AHTR1DHTR2AHTR2CHTR6
SCHEMBL1163703 0.80 SPHK2 (0.43) HRH3HTR1DLMNA
Hydrochloric Acid SCHEMBL4391300 0.79 HTR2C (0.49) HTR1AHTR1DHTR2AHTR2CHTR6
SCHEMBL1163641 0.77 SLC6A4 (0.40) HRH3HTR1AHTR1DHTR2AHTR2C
SCHEMBL32669236 0.75 HTR1A (0.61) HRH3HTR1AALDH1A1HTR2ATSHR
SCHEMBL1163565 0.75 PTGER4 (0.39) KDM4ELMNATP53
SCHEMBL1163793 0.74 HASPIN (0.40) HTR1AALDH1A1ATM
SCHEMBL1163715 0.74 LMNA (0.47) HTR1AHTR2AHTR2CGLALMNA

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 HRH3 247/4885HTR1A 38/4885ALDH1A1 277/4885
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT HRH3 247/4885HTR1A 38/4885ALDH1A1 277/4885
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT HRH3 247/4885HTR1A 38/4885ALDH1A1 277/4885

“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.