SCHEMBL18006263

SCHEMBL18006263

N#Cc1[nH]nnc1-c1cccc(COc2ccccc2OC(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
MRGPRX4 Q96LA9 8/20 0.38
SLC6A4 P31645 1/20 0.36
USP7 Q93009 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
XDH P47989 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
SCN9A Q15858 1/20 0.34
CTSS P25774 1/20 0.34

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
SCHEMBL18004688 0.87 MRGPRX4 (0.47) FFAR1RXRARXRBRXRGMRGPRX4
SCHEMBL18006266 0.86 MRGPRX4 (0.46) FFAR1MRGPRX4USP7CYP11B1CYP11B2
SCHEMBL18006250 0.86 MRGPRX4 (0.44) MRGPRX4KDM4EMAPTL3MBTL1
SCHEMBL26070864 0.86 MRGPRX4 (0.44) MRGPRX4KDM4EMAPTGABRG2GABRB3
SCHEMBL18006258 0.86 MRGPRX4 (0.44) MRGPRX4SLC6A4CYP11B1CYP11B2MAPT
SCHEMBL18006264 0.85 USP7 (0.44) FFAR1MRGPRX4SLC6A4USP7CYP11B1
SCHEMBL18004692 0.84 SMN1; SMN2 (0.44) RXRARXRBMRGPRX4CYP11B1CYP11B2
SCHEMBL18006252 0.84 MRGPRX4 (0.39) FFAR1RXRARXRBRXRGMRGPRX4
SCHEMBL18004712 0.84 CYP11B1 (0.38) FFAR1MRGPRX4SLC6A4CYP11B1CYP11B2
SCHEMBL18006267 0.83 HTR1A (0.43) MRGPRX4GABRG2GABRB3GABRA5GABRA3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 FFAR1 1292/4885RXRA 3077/4885RXRB 2771/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 FFAR1 1292/4885RXRA 3077/4885RXRB 2771/4885

“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.