SCHEMBL1163641

SCHEMBL1163641

COc1c(F)ccc2c1c(CCN1CCNCC1)cn2C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.40
KCNH2 Q12809 4/20 0.40
SLC6A2 P23975 3/20 0.40
CYP1A2 P05177 1/20 0.40
CHRM2 P08172 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
APOBEC3A P31941 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
SLC6A3 Q01959 2/20 0.38
HTR1A P08908 2/20 0.37
SIGMAR1 Q99720 5/20 0.35
HRH3 Q9Y5N1 1/20 0.34
ADRB2 P07550 1/20 0.34
HTR6 P50406 1/20 0.33
CCNE2 O96020 1/20 0.33
CDK4 P11802 1/20 0.33
PRKACA P17612 1/20 0.33
PRKACG P22612 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
SCHEMBL16286333 0.89 HRH3 (0.45) KCNH2HTR1ASIGMAR1HRH3ADRB2
SCHEMBL1163715 0.82 LMNA (0.47) KCNH2SLC6A2SLC6A3HTR1ASIGMAR1
SCHEMBL1163028 0.80 ALDH1A1 (0.49) SLC6A4HTR1AHTR2AHTR2C
SCHEMBL1162983 0.78 ADRB2 (0.39) HTR1AADRB2HTR6HTR1DHTR2A
SCHEMBL1163077 0.78 KCNH2 (0.51) SLC6A4KCNH2SLC6A2SLC6A3HTR1A
SCHEMBL1163191 0.77 HRH3 (0.37) HTR1AHRH3HTR6HTR1DHTR2A
SCHEMBL12596196 0.76 ADRB2 (0.38) KCNH2HTR1AADRB2HTR6HTR1D
SCHEMBL13592835 0.76 HTR6 (0.53) HTR1AADRB2HTR6HTR1DHTR2A
Hydrochloric Acid SCHEMBL3790913 0.75 HTR6 (0.52) HTR1AADRB2HTR6HTR1DHTR2A
SCHEMBL1163517 0.74 DRD3 (0.44) KCNH2HTR1AHTR2A

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 SLC6A4 66/4885KCNH2 3323/4885SLC6A2 95/4885
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT SLC6A4 66/4885KCNH2 3323/4885SLC6A2 95/4885
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT SLC6A4 66/4885KCNH2 3323/4885SLC6A2 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.