SCHEMBL16597481

SCHEMBL16597481

Cn1cc(-c2ccc(Cn3cc(C(=O)O)c4c(F)ccc(F)c43)cc2)cn1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 9/20 0.61
KDR P35968 3/20 0.43
EPHB4 P54760 3/20 0.43
TEK Q02763 2/20 0.43
CHRM3 P20309 1/20 0.43
MET P08581 1/20 0.41
EP300 Q09472 1/20 0.41
KCNH2 Q12809 1/20 0.40
STING1 Q86WV6 1/20 0.40
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
FSCN1 Q16658 1/20 0.40
ERN1 O75460 1/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39

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
SCHEMBL16597538 0.92 CHRM1 (0.53) CHRM1KDREPHB4TEKCHRM3
SCHEMBL16597513 0.89 CHRM1 (0.49) CHRM1KDREPHB4TEKCHRM3
SCHEMBL16597561 0.86 CHRM1 (0.69) CHRM1MET
SCHEMBL16597681 0.85 CHRM1 (0.67) CHRM1KDREPHB4TEKCHRM3
SCHEMBL2487915 0.83 CHRM1 (0.76) CHRM1KDREPHB4TEKFSCN1
SCHEMBL16597530 0.81 CHRM1 (0.51) CHRM1
SCHEMBL16597464 0.77 CHRM1 (0.64) CHRM1
SCHEMBL16610091 0.77 CNR1 (0.49) CHRM1
SCHEMBL16597459 0.77 CHRM1 (0.50) CHRM1
SCHEMBL2486076 0.76 CHRM1 (1.00) CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105593211-B Indole and indazole derivatives 豪夫迈·罗氏有限公司 2021-07-27 CN disclosed
EP-3049391-B1 INDOLE AND INDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-12-26 EP disclosed
US-9708259-B2 Indol and indazol derivatives HOFFMANN-LA ROCHE INC. (US) 2017-07-18 US disclosed
US-9708259-B2 Indol and indazol derivatives HOFFMANN-LA ROCHE INC. (US) 2017-07-18 US disclosed
US-9708259-B2 Indol and indazol derivatives HOFFMANN-LA ROCHE INC. (US) 2017-07-18 US disclosed
EP-3049391-A1 INDOL AND INDAZOL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-08-03 EP disclosed
US-20160207885-A1 INDOL AND INDAZOL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-07-21 US disclosed
US-20160207885-A1 INDOL AND INDAZOL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-07-21 US disclosed
US-20160207885-A1 INDOL AND INDAZOL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-07-21 US disclosed
WO-2015044072-A1 INDOL AND INDAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-04-02 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 (1 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-20160207885-A1 INDOL AND INDAZOL DERIVATIVES CHRNA7, CHRM1, CHRNA3 CHRM1 2/4885KDR 4434/4885EPHB4 1799/4885

“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.