SCHEMBL5368239

SCHEMBL5368239

CC[C@@H]1CC[C@@H](C(=O)OC)N1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
CETP P11597 2/20 0.40
FKBP1A P62942 1/20 0.37
PREP P48147 3/20 0.35
PTPN1 P18031 1/20 0.35
CYP3A4 P08684 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
EPHX1 P07099 1/20 0.34
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL20828186 0.89 CHRM2 (0.40) CHRM2CHRM1CHRM3CETPFKBP1A
SCHEMBL30642071 0.89 CHRM2 (0.40) CHRM2CHRM1CHRM3CETPFKBP1A
SCHEMBL24894476 0.88 CHRM2 (0.42) CHRM2CHRM1CHRM3CETPFKBP1A
SCHEMBL5369803 0.88 CHRM2 (0.42) CHRM2CHRM1CHRM3CETPFKBP1A
SCHEMBL24894315 0.88 CHRM2 (0.42) CHRM2CHRM1CHRM3CETPFKBP1A
SCHEMBL5160118 0.88 CHRM2 (0.42) CHRM2CHRM1CHRM3CETPFKBP1A
SCHEMBL24894342 0.87 CHRM2 (0.41) CHRM2CHRM1CHRM3CETPFKBP1A
SCHEMBL15368515 0.87 CHRM2 (0.41) CHRM2CHRM1CHRM3CETPFKBP1A
SCHEMBL14371764 0.87 CHRM2 (0.41) CHRM2CHRM1CHRM3CETPFKBP1A
SCHEMBL17068016 0.87 CHRM2 (0.41) CHRM2CHRM1CHRM3CETPFKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2661433-B1 INDOLE COMPOUNDS OR ANALOGUES THEREOF USEFUL FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) NOVARTIS AG (CH) 2017-08-16 EP disclosed
US-9085555-B2 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2015-07-21 US disclosed
EP-2661433-A1 INDOLE COMPOUNDS OR ANALOGUES THEREOF USEFUL FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) Novartis AG (CH) 2013-11-13 EP disclosed
US-20120295884-A1 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2012-11-22 US disclosed
WO-2012093101-A1 INDOLE COMPOUNDS OR ANALOGUES THEREOF USEFUL FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) NOVARTIS AG (CH) 2012-07-12 WO disclosed
US-7205409-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-04-17 US disclosed
US-20050131019-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2005-06-16 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-20050131019-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 CHRM2 2810/4885CHRM1 3419/4885CHRM3 1976/4885
US-20120295884-A1 Complement pathway modulators and uses thereof C5, C3AR1, C9 CHRM2 945/4885CHRM1 1134/4885CHRM3 932/4885

“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.