SCHEMBL381677

SCHEMBL381677

N#Cc1ccc(NC2CCNCC2)cc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.53
CHEK1 O14757 2/20 0.47
CNR2 P34972 1/20 0.46
AR P10275 8/20 0.45
SLC22A12 Q96S37 1/20 0.44
TAS2R14 Q9NYV8 1/20 0.43
CTSL P07711 2/20 0.42
CTSB P07858 2/20 0.42
CTSS P25774 2/20 0.42
CTSK P43235 2/20 0.42
MAPK1 P28482 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
Hydrochloric Acid SCHEMBL381432 0.99 TRPA1 (0.52) TRPA1CHEK1CNR2ARSLC22A12
SCHEMBL20274107 0.86 TRPA1 (0.61) TRPA1CNR2AR
SCHEMBL28222848 0.85 TRPA1 (0.54) TRPA1CNR2ARSLC22A12TAS2R14
SCHEMBL20274188 0.84 TRPA1 (0.53) TRPA1CNR2ARSLC22A12TAS2R14
SCHEMBL2631738 0.84 TRPA1 (0.59) TRPA1CNR2ARSLC22A12TAS2R14
SCHEMBL945129 0.84 TRPA1 (0.59) TRPA1CNR2ARSLC22A12TAS2R14
SCHEMBL945128 0.84 TRPA1 (0.59) TRPA1CNR2ARSLC22A12TAS2R14
SCHEMBL29666012 0.84 TRPA1 (0.53) TRPA1CHEK1CNR2ARSLC22A12
SCHEMBL15724669 0.82 TRPA1 (0.51) TRPA1CNR2ARSLC22A12
SCHEMBL9984392 0.79 HDAC8 (0.48) SLC22A12CTSLCTSBCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3247701-B1 ANTHELMINTIC COMPOUNDS, COMPOSITIONS AND METHOD OF USING THEREOF BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-09-22 EP disclosed
EP-3247701-B1 ANTHELMINTIC COMPOUNDS, COMPOSITIONS AND METHOD OF USING THEREOF BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-09-22 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
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-3145925-B1 ANTHELMINTIC COMPOUNDS BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2020-11-04 EP disclosed
EP-3145925-B1 ANTHELMINTIC COMPOUNDS BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2020-11-04 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-10597364-B2 Anthelmintic compounds, compositions and method of using thereof Boehringer Ingelheim Animal Health USA Inc. (US) 2020-03-24 US disclosed
US-10597364-B2 Anthelmintic compounds, compositions and method of using thereof Boehringer Ingelheim Animal Health USA Inc. (US) 2020-03-24 US disclosed
US-10463661-B2 Anthelmintic compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2019-11-05 US disclosed
WO-2014081697-A2 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2014-05-30 WO disclosed
WO-2014081697-A2 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2014-05-30 WO 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
EP-2408742-A1 ANTHELMINTIC AGENTS AND THEIR USE Intervet International B.V. (NL) 2012-01-25 EP disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 US disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 US disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 US disclosed
WO-2010115688-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-10-14 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 (4 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-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE ACHE, ABCB11, MPO TRPA1 293/4885CHEK1 4863/4885CNR2 1257/4885
US-10597364-B2 Anthelmintic compounds, compositions and method of using thereof CYP8B1, CYP2C8, CYP2B6 TRPA1 250/4885CHEK1 4471/4885CNR2 75/4885
US-10463661-B2 Anthelmintic compounds HRH4, QTRT1, Q6ZSR9 TRPA1 1178/4885CHEK1 4762/4885CNR2 100/4885
US-20140142114-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF CYP3A5, ABCC5, CXXC5 TRPA1 896/4885CHEK1 4780/4885CNR2 184/4885

“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.