SCHEMBL6441114

SCHEMBL6441114

C[C@@H]1CC(=O)[C@@H](C)CN1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
SETD7 Q8WTS6 2/20 0.38
HSD11B1 P28845 1/20 0.38
NR1H2 P55055 1/20 0.36
MAPK1 P28482 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
MAP4K4 O95819 1/20 0.35
AR P10275 1/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL19958775 1.00 TSHR (0.44) TSHRLMNATP53SETD7HSD11B1
SCHEMBL30900974 1.00 TSHR (0.44) TSHRLMNATP53SETD7HSD11B1
SCHEMBL6441117 1.00 TSHR (0.44) TSHRLMNATP53SETD7HSD11B1
SCHEMBL6441115 1.00 TSHR (0.44) TSHRLMNATP53SETD7HSD11B1
SCHEMBL12489546 0.84 SETD7 (0.39) TSHRSETD7HSD11B1NR1H2MAPK1
SCHEMBL22338091 0.83 TSHR (0.60) TSHRLMNATP53
SCHEMBL34469108 0.83 SETD7 (0.36) TSHRSETD7HSD11B1NR1H2MAPK1
SCHEMBL25059075 0.82 TSHR (0.38) TSHRSETD7HSD11B1NR1H2GPR119
SCHEMBL344752 0.82 TSHR (0.56) TSHRSETD7NR1H2GPR119CHRM2
SCHEMBL271429 0.82 TSHR (0.56) TSHRSETD7NR1H2GPR119CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10426135-B2 Methyl- and trifluromethyl-substituted pyrrolopyridine modulators of RORC2 and methods of use thereof PFIZER INC. (US) 2019-10-01 US disclosed
US-20190150401-A1 Methyl- and Trifluromethyl-Substituted Pyrrolopyridine Modulators of RORC2 and Methods of Use Thereof PFIZER INC. (US) 2019-05-23 US disclosed
US-10227346-B2 Methyl- and trifluoromethyl-substituted pyrrolopyridine modulators of RORC2 and methods of use therof PFIZER INC. (US) 2019-03-12 US disclosed
US-20180170928-A1 Methyl- and Trifluoromethyl-Substituted Pyrrolopyridine Modulators of RORC2 and Methods of Use Thereof PFIZER INC. (US) 2018-06-21 US disclosed
US-9920054-B2 Methyl- and trifluoromethyl-substituted pyrrolopyridine modulators of RORC2 and methods of use thereof PFIZER INC. (US) 2018-03-20 US disclosed
US-20170233390-A1 Methyl- and Trifluoromethyl-Substituted Pyrrolopyridine Modulators of RORC2 and Methods of Use Thereof PFIZER INC. (US) 2017-08-17 US disclosed
US-9670201-B2 Methyl- and trifluoromethyl-substituted pyrrolopyridine modulators of RORC2 and methods of use thereof PFIZER INC. (US) 2017-06-06 US disclosed
US-20160090381-A1 Methyl- and Trifluoromethyl-Substituted Pyrrolopyridine Modulators of RORC2 and Methods of Use Thereof PFIZER (US) 2016-03-31 US disclosed
EP-1534677-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1ALPHA BINDING TO ITS RECEPTOR CCR1 Pfizer Products Inc. (US) 2005-06-01 EP disclosed
US-20040063759-A1 Novel piperidine derivatives PFIZER INC. 2004-04-01 US disclosed
WO-2004009550-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1ALPHA BINDING TO ITS RECEPTOR CCR1 PFIZER PRODUCTS INC. (US) 2004-01-29 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 (5 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-10227346-B2 Methyl- and trifluoromethyl-substituted pyrrolopyridine modulators of RORC2 and methods of use therof RORC, RORB, RORA TSHR 988/4885LMNA 3808/4885TP53 2111/4885
US-20180170928-A1 Methyl- and Trifluoromethyl-Substituted Pyrrolopyridine Modulators of RORC2 and Methods of Use Thereof RORC, RORB, RORA TSHR 1464/4885LMNA 4059/4885TP53 3705/4885
US-20170233390-A1 Methyl- and Trifluoromethyl-Substituted Pyrrolopyridine Modulators of RORC2 and Methods of Use Thereof RORC, RORB, RORA TSHR 1464/4885LMNA 4059/4885TP53 3705/4885
US-20160090381-A1 Methyl- and Trifluoromethyl-Substituted Pyrrolopyridine Modulators of RORC2 and Methods of Use Thereof RORC, RORB, RORA TSHR 1464/4885LMNA 4059/4885TP53 3705/4885
US-20040063759-A1 Novel piperidine derivatives CCR1, CCR3, CCR2 TSHR 2736/4885LMNA 4567/4885TP53 3566/4885

“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.