SCHEMBL17709255

SCHEMBL17709255

C[C@H](O)c1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nn1-c1ccccc1Cl

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 20/20 0.78
AVPR1A P37288 20/20 0.78
SLC6A2 P23975 1/20 0.77
OXTR P30559 1/20 0.77
OPRK1 P41145 1/20 0.77
AVPR1B P47901 1/20 0.77

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
SCHEMBL17709251 1.00 AVPR2 (0.78) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL19516682 1.00 AVPR2 (0.78) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL17709212 1.00 AVPR2 (0.78) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL19552338 0.94 AVPR2 (0.77) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL19552341 0.94 AVPR2 (0.77) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL23752038 0.94 AVPR2 (0.76) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL22365768 0.94 AVPR2 (0.76) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL21459266 0.94 AVPR2 (0.76) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL22365769 0.94 AVPR2 (0.76) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL17709214 0.94 AVPR2 (0.77) AVPR2AVPR1ASLC6A2OXTROPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074783-B Hydroxyalkyl substituted phenyl triazole derivatives and uses thereof 拜耳制药股份公司 2020-06-05 CN claimed
EP-3215498-B1 HYDROXYALKYL-SUBSTITUTED PHENYLTRIAZOLE DERIVATIVES AND USES THEREOF Bayer Pharma AG (DE) 2018-08-22 EP claimed
US-20170313665-A1 HYDROXYALKYL-SUBSTITUTED PHENYLTRIAZOLE DERIVATIVES AND USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-02 US claimed
US-9771352-B2 Hydroxyalkyl-substituted phenyltriazole derivatives and uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-26 US claimed
US-20160122325-A1 Hydroxyalkyl-substituted phenyltriazole derivatives and uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-05 US claimed
US-20210253557-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AND USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-08-19 US disclosed
CN-109071500-B Process for preparing 5-hydroxyalkyl-substituted 1-phenyl-1, 2, 4-triazole derivatives 拜耳制药股份公司 2021-05-18 CN disclosed
US-20200299271-A1 METHOD FOR PRODUCING 5-HYDROXYALKYL-SUBSTITUTED 1-PHENYL-1,2,4- TRIAZOLE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-09-24 US disclosed
US-20200299271-A1 METHOD FOR PRODUCING 5-HYDROXYALKYL-SUBSTITUTED 1-PHENYL-1,2,4- TRIAZOLE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-09-24 US disclosed
US-10703742-B2 Method for producing 5-hydroxyalkyl-substituted 1-phenyl-1,2,4-triazole derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-07-07 US disclosed
US-10703742-B2 Method for producing 5-hydroxyalkyl-substituted 1-phenyl-1,2,4-triazole derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-07-07 US disclosed
US-20190144431-A1 METHOD FOR PRODUCING 5-HYDROXYALKYL-SUBSTITUTED 1-PHENYL-1,2,4- TRIAZOLE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-05-16 US disclosed
US-20170313665-A1 HYDROXYALKYL-SUBSTITUTED PHENYLTRIAZOLE DERIVATIVES AND USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-02 US disclosed
US-9771352-B2 Hydroxyalkyl-substituted phenyltriazole derivatives and uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-26 US disclosed
US-9771352-B2 Hydroxyalkyl-substituted phenyltriazole derivatives and uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-26 US disclosed
US-9771352-B2 Hydroxyalkyl-substituted phenyltriazole derivatives and uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-26 US disclosed
WO-2016071212-A1 HYDROXYALKYL-SUBSTITUTED PHENYLTRIAZOLE DERIVATIVES AND USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-12 WO disclosed
US-20160122325-A1 Hydroxyalkyl-substituted phenyltriazole derivatives and uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-05 US disclosed
US-20160122325-A1 Hydroxyalkyl-substituted phenyltriazole derivatives and uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-05 US disclosed
US-20160122325-A1 Hydroxyalkyl-substituted phenyltriazole derivatives and uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-05 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 (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-20210253557-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AND USES THEREOF GLS, TNNI3, CYP11B2 AVPR2 1574/4885AVPR1A 2827/4885SLC6A2 2193/4885
US-20160122325-A1 Hydroxyalkyl-substituted phenyltriazole derivatives and uses thereof AADAC, HHAT, NAT1 AVPR2 2260/4885AVPR1A 3787/4885SLC6A2 1754/4885
US-20170313665-A1 HYDROXYALKYL-SUBSTITUTED PHENYLTRIAZOLE DERIVATIVES AND USES THEREOF AADAC, HHAT, NAT1 AVPR2 2260/4885AVPR1A 3787/4885SLC6A2 1754/4885
US-10703742-B2 Method for producing 5-hydroxyalkyl-substituted 1-phenyl-1,2,4-triazole derivatives CYP1A1, H1-3, H1-0 AVPR2 2876/4885AVPR1A 641/4885SLC6A2 3285/4885
US-20190144431-A1 METHOD FOR PRODUCING 5-HYDROXYALKYL-SUBSTITUTED 1-PHENYL-1,2,4- TRIAZOLE DERIVATIVES CYP1A1, H1-3, H1-0 AVPR2 2876/4885AVPR1A 641/4885SLC6A2 3285/4885
US-20200299271-A1 METHOD FOR PRODUCING 5-HYDROXYALKYL-SUBSTITUTED 1-PHENYL-1,2,4- TRIAZOLE DERIVATIVES CYP1A1, H1-3, H1-0 AVPR2 2876/4885AVPR1A 641/4885SLC6A2 3285/4885

“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.