SCHEMBL1995189

SCHEMBL1995189

CC(C)(C)OC(=O)N1CCC(C#N)(c2ncc(Cl)cc2F)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.47
CTSS P25774 6/20 0.47
CYP3A4 P08684 2/20 0.43
CYP3A5 P20815 2/20 0.43
GPR119 Q8TDV5 5/20 0.43
JAK2 O60674 4/20 0.42
JAK1 P23458 4/20 0.42

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
SCHEMBL20955195 0.85 JAK2 (0.42) CTSLCTSSCYP3A4CYP3A5GPR119
SCHEMBL2003119 0.83 CTSS (0.38) CTSLCTSS
SCHEMBL29560741 0.82 GPR119 (0.44) GPR119JAK2JAK1
SCHEMBL22866759 0.82 GPR119 (0.44) GPR119JAK2JAK1
SCHEMBL1195085 0.82 CYP3A4 (0.48) CYP3A4CYP3A5GPR119JAK2JAK1
SCHEMBL2950039 0.81 POLB (0.47) GPR119JAK2JAK1
SCHEMBL22866761 0.79 GPR119 (0.40) CTSLCTSSGPR119JAK2JAK1
SCHEMBL31349601 0.78 GPR119 (0.42) GPR119JAK2JAK1
SCHEMBL31349521 0.77 GPR119 (0.43) GPR119JAK2JAK1
SCHEMBL4294944 0.77 TRPV1 (0.42) CYP3A4CYP3A5JAK2JAK1

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
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof RIKEN (JP) 2022-08-16 US disclosed
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof RIKEN (JP) 2022-08-16 US disclosed
CN-110023315-B Novel compound or pharmacologically acceptable salt thereof 国立研究开发法人理化学研究所 2021-11-12 CN disclosed
EP-3480198-B1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2021-05-05 EP disclosed
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2020-06-04 US disclosed
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2020-06-04 US disclosed
EP-3480198-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2019-05-08 EP disclosed
US-7960401-B2 Spiropiperidine derivatives for controlling pests SYNGENTA CROP PROTECTION, INC. (US) 2011-06-14 US disclosed
EP-1694677-B1 SPIROPIPERIDINE DERIVATIVES FOR CONTROLLING PESTS SYNGENTA PARTICIPATIONS AG (CH) 2009-12-02 EP disclosed
US-20070135408-A1 Spiropiperidine derivatives for controlling pests SYNGENTA CROP PROTECTION, INC. 2007-06-14 US disclosed
EP-1694677-A1 SPIROPIPERIDINE DERIVATIVES FOR CONTROLLING PESTS Syngenta Participations AG (CH) 2006-08-30 EP disclosed
WO-2005061500-A1 SPIROPIPERIDINE DERIVATIVES FOR CONTROLLING PESTS SYNGENTA PARTICIPATIONS AG (CH) 2005-07-07 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 (3 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-11414429-B2 Compound or pharmaceutically acceptable salt thereof DPP8, DPP7, AZI2 CTSL 3334/4885CTSS 3561/4885CYP3A4 918/4885
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DPP8, DPP7, AZI2 CTSL 3328/4885CTSS 3434/4885CYP3A4 1262/4885
US-20070135408-A1 Spiropiperidine derivatives for controlling pests CHRM1, CHRM2, RER1 CTSL 4000/4885CTSS 3119/4885CYP3A4 1385/4885

“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.