SCHEMBL20974704

SCHEMBL20974704

CC(O)c1nc(Cn2nc(-c3ccc(Cl)cc3)n(CC(O)C(F)(F)F)c2=O)nn1-c1ncccc1Cl

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 20/20 0.74
AVPR1A P37288 20/20 0.74
SLC6A2 P23975 1/20 0.74
OXTR P30559 1/20 0.74
OPRK1 P41145 1/20 0.74
AVPR1B P47901 1/20 0.74

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
SCHEMBL19578044 1.00 AVPR2 (0.74) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL19577978 1.00 AVPR2 (0.74) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL19552149 0.95 AVPR2 (0.66) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL19552151 0.95 AVPR2 (0.66) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL23752045 0.94 AVPR2 (0.65) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL22365748 0.94 AVPR2 (0.65) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL22365749 0.94 AVPR2 (0.65) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL20974811 0.93 AVPR2 (0.73) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL19577924 0.93 AVPR2 (0.73) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL19577813 0.93 AVPR2 (0.73) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210253557-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AND USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-08-19 US disclosed
US-20190144422-A1 HYDROXYALKYL-SUBSTITUTED HETEROARYLTRIAZOLE DERIVATIVES AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2019-05-16 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 (2 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-20190144422-A1 HYDROXYALKYL-SUBSTITUTED HETEROARYLTRIAZOLE DERIVATIVES AND USES THEREOF AADAC, LIPG, HHAT AVPR2 2683/4885AVPR1A 4165/4885SLC6A2 2252/4885

“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.