SCHEMBL19633060

SCHEMBL19633060

Cc1ccccc1C1CCN(c2ccn3c(CC4CC4(F)F)nnc3c2Br)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 20/20 0.47
HTR2A P28223 2/20 0.47
SLC6A3 Q01959 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
KCNH2 Q12809 1/20 0.44

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
SCHEMBL19632913 0.90 GRM2 (0.44) GRM2HTR2ASLC6A3CYP2C9CYP2C19
SCHEMBL20842383 0.88 GRM2 (0.47) GRM2SLC6A3CYP2C9CYP2C19SIGMAR1
SCHEMBL21084285 0.87 GRM2 (0.51) GRM2HTR2ASLC6A3CYP2C9CYP2C19
SCHEMBL19632915 0.81 GRM2 (0.48) GRM2SLC6A3CYP2C9CYP2C19SIGMAR1
SCHEMBL19632911 0.79 GRM2 (0.52) GRM2HTR2ASLC6A3CYP2C9CYP2C19
SCHEMBL19632597 0.77 GRM2 (0.52) GRM2SLC6A3CYP2C9CYP2C19SIGMAR1
SCHEMBL19633226 0.77 GRM2 (0.52) GRM2HTR2ASLC6A3CYP2C9CYP2C19
SCHEMBL19633195 0.76 GRM2 (0.62) GRM2HTR2ASLC6A3CYP2C9CYP2C19
SCHEMBL19633041 0.74 GRM2 (0.59) GRM2SLC6A3CYP2C9CYP2C19SIGMAR1
SCHEMBL20842355 0.74 GRM2 (0.50) GRM2HTR2ASLC6A3CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3459948-B1 FLUORINE-CONTAINING TRIAZOLOPYRIDINE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2021-11-17 EP claimed
US-20190202827-A1 FLUORINE-CONTAINING TRIAZOLOPYRIDINE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-07-04 US claimed
EP-3459948-A1 FLUORINE-CONTAINING TRIAZOLOPYRIDINE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF Shanghai Institute Of Materia Medica Chinese Academy of Sciences (CN) 2019-03-27 EP claimed
EP-3459948-B1 FLUORINE-CONTAINING TRIAZOLOPYRIDINE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2021-11-17 EP disclosed
EP-3459948-B1 FLUORINE-CONTAINING TRIAZOLOPYRIDINE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2021-11-17 EP disclosed
US-10800776-B2 Fluorine-containing triazolopyridine, and manufacturing method, pharmaceutical composition, and application thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-10-13 US disclosed
US-10800776-B2 Fluorine-containing triazolopyridine, and manufacturing method, pharmaceutical composition, and application thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-10-13 US disclosed
US-20190202827-A1 FLUORINE-CONTAINING TRIAZOLOPYRIDINE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-07-04 US disclosed
US-20190202827-A1 FLUORINE-CONTAINING TRIAZOLOPYRIDINE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-07-04 US disclosed
EP-3459948-A1 FLUORINE-CONTAINING TRIAZOLOPYRIDINE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF Shanghai Institute Of Materia Medica Chinese Academy of Sciences (CN) 2019-03-27 EP disclosed
EP-3459948-A1 FLUORINE-CONTAINING TRIAZOLOPYRIDINE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF Shanghai Institute Of Materia Medica Chinese Academy of Sciences (CN) 2019-03-27 EP disclosed
WO-2017198180-A1 FLUORINE-CONTAINING TRIAZOLOPYRIDINE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF 中国科学院上海药物研究所 2017-11-23 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 (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-20190202827-A1 FLUORINE-CONTAINING TRIAZOLOPYRIDINE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF GRM2, GRM1, GRIK2 GRM2 1/4885HTR2A 69/4885SLC6A3 229/4885
US-10800776-B2 Fluorine-containing triazolopyridine, and manufacturing method, pharmaceutical composition, and application thereof GRM2, GRM1, GRIK2 GRM2 1/4885HTR2A 69/4885SLC6A3 229/4885

“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.