SCHEMBL5746441

SCHEMBL5746441

Fc1ccc2nc(N3CCNCC3)ccc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.62
HTR3E A5X5Y0 3/20 0.62
HTR3B O95264 3/20 0.62
HTR3D Q70Z44 3/20 0.62
HTR3C Q8WXA8 3/20 0.62
ALDH1A1 P00352 3/20 0.62
CYP3A4 P08684 3/20 0.62
CYP1A2 P05177 2/20 0.62
SLC6A4 P31645 2/20 0.62
PMP22 Q01453 2/20 0.62
KDM4E B2RXH2 2/20 0.62
HSD17B10 Q99714 2/20 0.62
USP2 O75604 1/20 0.62
ADRB1 P08588 1/20 0.62
HTR1A P08908 1/20 0.62
HTR2C P28335 1/20 0.62
MAPK1 P28482 1/20 0.62
HTR7 P34969 1/20 0.62
HTT P42858 1/20 0.62
HTR6 P50406 1/20 0.62

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
SCHEMBL5912577 0.94 HTR3A (0.56) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL25488432 0.84 RXFP1 (0.56) HTR3AALDH1A1HRH3HRH4RXFP1
SCHEMBL4182196 0.81 HTR3A (0.80) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL15724675 0.81 HTR3A (0.62) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL6364907 0.81 HTR3A (0.62) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL5912936 0.81 HTR3A (0.62) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL15707911 0.81 HRH3 (0.66) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL4059444 0.80 HTR3A (0.78) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL15708218 0.80 HRH3 (0.64) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL5912601 0.79 HRH3 (0.67) HTR3AHTR3EHTR3BHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3428162-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-05-05 EP disclosed
EP-3428162-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-05-05 EP disclosed
CN-106536518-B Anthelmintic compounds 勃林格殷格翰动物保健美国公司 2020-05-12 CN disclosed
US-10463661-B2 Anthelmintic compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2019-11-05 US disclosed
US-10463661-B2 Anthelmintic compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2019-11-05 US disclosed
EP-3428162-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF Merial Inc. (US) 2019-01-16 EP disclosed
US-10155725-B2 Anthelmintic compounds and compositions and method of using thereof MERIAL, INC. (US) 2018-12-18 US disclosed
US-20180338972-A1 ANTHELMINTIC COMPOUNDS MERIAL INC. (US) 2018-11-29 US disclosed
EP-2922845-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL INC (US) 2018-06-20 EP disclosed
EP-2922845-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL INC (US) 2018-06-20 EP disclosed
US-20140142114-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2014-05-22 US disclosed
US-20140142114-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2014-05-22 US disclosed
US-20140142114-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2014-05-22 US disclosed
US-7153849-B2 Antidepressant arylpiperazine derivatives of hetrocycle-fused benzodioxans WYETH (US) 2006-12-26 US disclosed
US-20060276481-A1 Antidepressant arylpiperazine derivatives of heterocycle-fused benzodioxans WYETH (US) 2006-12-07 US disclosed
EP-1641785-A2 BENZOFURANYL-AND BENZOTHIENYL-PIPERAZINYL QUINOLINES AS SEROTONIN REUPTAKE INHIBITORS Wyeth (US) 2006-04-05 EP disclosed
EP-1537121-A1 ANTIDEPRESSANT ARYLPIPERAZINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS Wyeth (US) 2005-06-08 EP disclosed
WO-2004099191-A2 BENZOFURANYL-AND BENZOTHIENYL-PIPERAZINYL QUINOLINES AS SEROTONIN REUPTAKE INHIB ITORS WYETH (US) 2004-11-18 WO disclosed
US-20040142926-A1 Antidepressant arylpiperazine derivatives of heterocycle-fused benzodioxans WYETH 2004-07-22 US disclosed
WO-2004024731-A1 ANTIDEPRESSANT ARYLPIPERAZINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2004-03-25 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 (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-20060276481-A1 Antidepressant arylpiperazine derivatives of heterocycle-fused benzodioxans HTR5A, CRH, TAAR5 HTR3A 83/4885HTR3E 146/4885HTR3B 56/4885
US-10463661-B2 Anthelmintic compounds HRH4, QTRT1, Q6ZSR9 HTR3A 1795/4885HTR3E 1366/4885HTR3B 1998/4885
US-10155725-B2 Anthelmintic compounds and compositions and method of using thereof CYP3A5, ABCC5, CXXC5 HTR3A 1946/4885HTR3E 1383/4885HTR3B 2217/4885
US-20180338972-A1 ANTHELMINTIC COMPOUNDS HRH4, QTRT1, Q6ZSR9 HTR3A 1795/4885HTR3E 1366/4885HTR3B 1998/4885
US-20040142926-A1 Antidepressant arylpiperazine derivatives of heterocycle-fused benzodioxans HTR5A, CYP19A1, CRH HTR3A 75/4885HTR3E 135/4885HTR3B 53/4885
US-20140142114-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF CYP3A5, ABCC5, CXXC5 HTR3A 1946/4885HTR3E 1383/4885HTR3B 2217/4885

“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.