SCHEMBL1593433

SCHEMBL1593433

CN1C2CCC1CC(OC(=O)c1ccc(-c3cc(C(F)(F)F)n(C)n3)s1)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
GAA P10253 3/20 0.45
POLB P06746 1/20 0.45
HTR3A P46098 5/20 0.44
HTR3E A5X5Y0 4/20 0.44
HTR3B O95264 4/20 0.44
HTR3D Q70Z44 4/20 0.44
HTR3C Q8WXA8 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CHRNA7 P36544 1/20 0.44
CYP2D6 P10635 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NR1I2 O75469 1/20 0.43
GMNN O75496 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
MTOR P42345 1/20 0.42

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
SCHEMBL12706575 0.89 ALDH1A1 (0.57) ALDH1A1GAAPOLBHTR3AL3MBTL1
SCHEMBL13008427 0.87 ALDH1A1 (0.53) ALDH1A1GAAPOLBL3MBTL1
SCHEMBL12728203 0.81 ALDH1A1 (0.53) ALDH1A1GAAPOLBL3MBTL1
SCHEMBL1594837 0.79 ALDH1A1 (0.55) ALDH1A1GAAPOLBL3MBTL1CYP2D6
SCHEMBL14423032 0.77 ALDH1A1 (0.57) ALDH1A1GAAPOLBL3MBTL1
SCHEMBL1594998 0.77 ALDH1A1 (0.63) ALDH1A1GAAPOLBL3MBTL1MEN1
SCHEMBL5211882 0.77 ALDH1A1 (0.73) ALDH1A1GAAPOLBL3MBTL1MEN1
SCHEMBL2058323 0.75 ALDH1A1 (0.74) ALDH1A1GAAPOLBL3MBTL1
SCHEMBL1574357 0.75 ALDH1A1 (0.74) ALDH1A1GAAPOLBL3MBTL1CYP2C19
SCHEMBL12706157 0.75 ALDH1A1 (0.57) ALDH1A1GAAPOLBL3MBTL1MEN1

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
EP-2465850-B1 THERAPEUTIC COMPOUNDS DART NEUROSCIENCE CAYMAN LTD (KY) 2016-11-23 EP disclosed
US-8791137-B2 Therapeutic compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2014-07-29 US disclosed
US-8791137-B2 Therapeutic compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2014-07-29 US disclosed
US-8791137-B2 Therapeutic compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2014-07-29 US disclosed
EP-1989185-B1 THERAPEUTIC COMPOUNDS HELICON THERAPEUTICS INC (US) 2013-05-22 EP disclosed
US-8399487-B2 Pyrazole compounds and uses thereof DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2013-03-19 US disclosed
US-8399487-B2 Pyrazole compounds and uses thereof DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2013-03-19 US disclosed
US-8399487-B2 Pyrazole compounds and uses thereof DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2013-03-19 US disclosed
US-20110160248-A1 PYRAZOLE COMPOUNDS AND USES THEREOF DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-06-30 US disclosed
US-20110160248-A1 PYRAZOLE COMPOUNDS AND USES THEREOF DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-06-30 US disclosed
US-20110160248-A1 PYRAZOLE COMPOUNDS AND USES THEREOF DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-06-30 US disclosed
US-7919626-B2 Pyrazole compounds and uses thereof HELICON THERAPEUTICS, INC. (US) 2011-04-05 US disclosed
US-7919626-B2 Pyrazole compounds and uses thereof HELICON THERAPEUTICS, INC. (US) 2011-04-05 US disclosed
US-20100317648-A1 THERAPEUTIC COMPOUNDS DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2010-12-16 US disclosed
US-20100317648-A1 THERAPEUTIC COMPOUNDS DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2010-12-16 US disclosed
US-20100317648-A1 THERAPEUTIC COMPOUNDS DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2010-12-16 US disclosed
US-20070203154-A1 Therapeutic Compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2007-08-30 US disclosed
US-20070203154-A1 Therapeutic Compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2007-08-30 US disclosed
US-20070203154-A1 Therapeutic Compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2007-08-30 US 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-20100317648-A1 THERAPEUTIC COMPOUNDS MAOB, MAOA, HTR1B ALDH1A1 455/4885GAA 76/4885POLB 1119/4885
US-20110160248-A1 PYRAZOLE COMPOUNDS AND USES THEREOF MAOB, MAOA, HTR1B ALDH1A1 602/4885GAA 400/4885POLB 1529/4885
US-20070203154-A1 Therapeutic Compounds MAOB, MAOA, HTR1B ALDH1A1 455/4885GAA 76/4885POLB 1119/4885

“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.