SCHEMBL16650437

SCHEMBL16650437

O=C(c1ccc(C(F)(F)F)nc1)C1CN(C(=O)O)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HDAC4 P56524 1/20 0.40
SFRP1 Q8N474 1/20 0.38
DPP4 P27487 1/20 0.38
KCNH2 Q12809 4/20 0.38
USP30 Q70CQ3 2/20 0.38
GAA P10253 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37

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
SCHEMBL16632109 0.86 HSD11B1 (0.47) CNR2MEN1POLBKMT2AKDM4E
SCHEMBL16652151 0.82 GPR119 (0.41) HDAC4USP30
SCHEMBL16656045 0.82 USP30 (0.39) CNR2MEN1ALDH1A1POLBMAPT
SCHEMBL997113 0.82 CNR2 (0.43) CNR2DPP4KCNH2USP30HRH3
SCHEMBL16652197 0.80 HDAC4 (0.41) PKMHDAC4GAA
SCHEMBL17729523 0.78 HSD11B1 (0.55) MEN1ALDH1A1POLBMAPTPKM
SCHEMBL16632026 0.77 HSD11B1 (0.46) MEN1POLBKMT2AKDM4EDPP4
SCHEMBL2927877 0.77 KCNH2 (0.52) CNR2MEN1ALDH1A1POLBPKM
SCHEMBL13391178 0.76 MEN1 (0.50) CNR2MEN1KMT2AKCNH2HRH3
SCHEMBL28081872 0.75 PIK3CD (0.46) DPP4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057422-B1 QUINOLINYL MODULATORS OF ROR(GAMMA)T JANSSEN PHARMACEUTICA NV (BE) 2019-05-15 EP disclosed
US-10201546-B2 Quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2019-02-12 US disclosed
US-20170182056-A1 QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2017-06-29 US disclosed
US-9624225-B2 Quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2017-04-18 US disclosed
EP-3057422-A1 QUINOLINYL MODULATORS OF ROR(GAMMA)T Janssen Pharmaceutica NV (BE) 2016-08-24 EP disclosed
CN-105848483-A Quinolinyl modulators of roryt 詹森药业有限公司 2016-08-10 CN disclosed
WO-2015057626-A1 QUINOLINYL MODULATORS OF RORyT JANSSEN PHARMACEUTICA NV (BE) 2015-04-23 WO disclosed
US-20150111870-A1 QUINOLINYL MODULATORS OF RORyt JOHNSON & JOHNSON (US) 2015-04-23 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 (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-20150111870-A1 QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB CNR2 158/4885MEN1 4223/4885ALDH1A1 1295/4885
US-10201546-B2 Quinolinyl modulators of RORγt RORC, RORB, RORA CNR2 157/4885MEN1 3940/4885ALDH1A1 1190/4885
US-20170182056-A1 QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB CNR2 158/4885MEN1 4223/4885ALDH1A1 1295/4885

“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.