SCHEMBL184451

SCHEMBL184451

c1c[nH]c(C2CCCC2)n1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 5/20 0.55
ADRA2A P08913 3/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1B P35368 1/20 0.45
HTR2B P41595 5/20 0.43
MAP4K4 O95819 1/20 0.40
NISCH Q9Y2I1 1/20 0.39
F2RL1 P55085 2/20 0.38
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL1133528 0.98 ADRA1A (0.53) ADRA1AADRA2AADRA1DADRA1BHTR2B
SCHEMBL724530 0.98 ADRA1A (0.53) ADRA1AADRA2AADRA1DADRA1BHTR2B
SCHEMBL7856564 0.98 ADRA1A (0.53) ADRA1AADRA2AADRA1DADRA1BHTR2B
Hydrochloric Acid SCHEMBL11394021 0.96 ADRA1A (0.52) ADRA1AADRA2AADRA1DADRA1BHTR2B
SCHEMBL1494449 0.95
SCHEMBL196337 0.91
SCHEMBL16512331 0.84 ADRA1A (0.49) ADRA1AADRA2AADRA1DADRA1BHTR2B
SCHEMBL1299321 0.83 ADRA1A (0.52) ADRA1AADRA2AADRA1DADRA1BHTR2B
SCHEMBL2488698 0.83 ADRA1A (0.52) ADRA1AADRA2AADRA1DADRA1BHTR2B
SCHEMBL4585762 0.83 ADRA1A (0.52) ADRA1AADRA2AADRA1DADRA1BHTR2B

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 302 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150366885-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2015-12-24 US claimed
EP-2118077-B1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2014-12-24 EP claimed
US-20140296186-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2014-10-02 US claimed
US-20140288301-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2014-09-25 US claimed
US-20140066428-A1 6,7,8,9-Tetrahydro-5H-1,4,7,10a-tetraaza-cyclohept[f]indene derivatives, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-06 US claimed
EP-2384328-B1 6,7,8,9-TETRAHYDRO-5H-1,4,7,10A-TETRAAZA-CYCLOHEPT[F]INDENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR PREPARING THEM BOEHRINGER INGELHEIM INT (DE) 2013-02-13 EP claimed
US-8362055-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS, INC. (US) 2013-01-29 US claimed
US-8318790-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-11-27 US claimed
EP-1817295-B1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2012-11-07 EP claimed
US-8299107-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORPORATION (US) 2012-10-30 US claimed
WO-2007139968-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 WO claimed
WO-2007139967-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 WO claimed
EP-1817295-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corporation (US) 2007-08-15 EP claimed
JP-2007512358-A 2007-05-17 JP claimed
WO-2006055760-A9 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2006-09-21 WO claimed
EP-1685127-A1 HETEROCYCLYL-SUBSTITUTED OXETANES FOR THE TREATMENT OF PROLIFERATIVE OR INFECTIOUS DISEASES The University of Connecticut (US) 2006-08-02 EP claimed
US-20060167070-A1 heat shock protein 90 inhibitors such as 3-(2-Hydroxyphenyl)-4-(naphthalen-1-yl)-5-mercapto-triazole, used for for preventing or treating hyperproliferative disorders, such as cancer LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2006-07-27 US claimed
WO-2006055760-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2006-05-26 WO claimed
US-20050215568-A1 Substituted oxetanes, method of making, and method of use thereof UNIVERSITY OF CONNECTICUT, THE 2005-09-29 US claimed
WO-2005051944-A1 HETEROCYCLYL-SUBSTITUTED OXETANES FOR THE TREATMENT OF PROLIFERATIVE OR INFECTIOUS DISEASES UNIVERSITY OF CONNECTICUT (US) 2005-06-09 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20140066428-A1 6,7,8,9-Tetrahydro-5H-1,4,7,10a-tetraaza-cyclohept[f]indene derivatives, pharmaceutical compositions containing these compounds, their use and processes for preparing them HTR1A, HTR2C, TPH1 ADRA1A 26/4885ADRA2A 35/4885ADRA1D 28/4885
US-20050215568-A1 Substituted oxetanes, method of making, and method of use thereof PNP, TYMP, DHPS ADRA1A 3546/4885ADRA2A 3917/4885ADRA1D 3720/4885
US-20140296186-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 ADRA1A 3771/4885ADRA2A 4037/4885ADRA1D 4055/4885
US-20150366885-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 ADRA1A 3771/4885ADRA2A 4037/4885ADRA1D 4055/4885
US-20140288301-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 ADRA1A 3771/4885ADRA2A 4037/4885ADRA1D 4055/4885
US-20060167070-A1 heat shock protein 90 inhibitors such as 3-(2-Hydroxyphenyl)-4-(naphthalen-1-yl)-5-mercapto-triazole, used for for preventing or treating hyperproliferative disorders, such as cancer HSP90AB1, HSP90AB2P, HSP90AA1 ADRA1A 3914/4885ADRA2A 4132/4885ADRA1D 4098/4885

“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.