SCHEMBL1990732

SCHEMBL1990732

N#Cc1ccnc(N2CCC(C(=O)O)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.59
PDE4D Q08499 2/20 0.56
PDE4A P27815 1/20 0.56
PDE4B Q07343 1/20 0.56
PDE4C Q08493 1/20 0.56
CHRM4 P08173 1/20 0.56
HRH3 Q9Y5N1 1/20 0.55
NOTUM Q6P988 1/20 0.54
THRB P10828 1/20 0.51
USP30 Q70CQ3 1/20 0.49
PANK3 Q9H999 1/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP2C19 P33261 1/20 0.49
DPP4 P27487 1/20 0.48
TP53 P04637 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
LCAT P04180 1/20 0.46
HCRTR1 O43613 4/20 0.46
HCRTR2 O43614 4/20 0.46

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
Trifluoroacetic Acid SCHEMBL25300656 0.93 MALT1 (0.56) MALT1PDE4DPDE4APDE4BPDE4C
Trifluoroacetic Acid SCHEMBL30338667 0.85 MALT1 (0.52) MALT1PDE4DPDE4APDE4BPDE4C
SCHEMBL25818614 0.85 KDM4E (0.58) MALT1CHRM4HRH3THRBUSP30
SCHEMBL13622626 0.83 CHRM4 (0.56) MALT1CHRM4HRH3THRBUSP30
SCHEMBL5220987 0.83 USP30 (0.57) MALT1CHRM4HRH3THRBUSP30
SCHEMBL3257027 0.82 OPRD1 (0.59) KDM4ECYP2C19LMNAHTTNEK2
SCHEMBL30339003 0.81 MALT1 (0.54) MALT1CHRM4HRH3THRBUSP30
SCHEMBL16026705 0.81 PANK3 (0.60) MALT1CHRM4HRH3USP30PANK3
SCHEMBL20064100 0.80 HRH3 (0.51) MALT1CHRM4HRH3THRBUSP30
SCHEMBL15014494 0.80 HRH3 (0.54) MALT1CHRM4HRH3THRBUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116547281-A Isoxazolidines as RIPK1 inhibitors and uses thereof 赛诺菲 2023-08-04 CN disclosed
US-20230219937-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF SANOFI (FR) 2023-07-13 US disclosed
US-20230219937-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF SANOFI (FR) 2023-07-13 US disclosed
EP-4157835-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF SANOFI (FR) 2023-04-05 EP disclosed
US-9346786-B2 Pyrrolidine compounds HOFFMANN-LA ROCHE INC. (US) 2016-05-24 US disclosed
EP-2513084-B1 PYRROLIDINE DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2015-07-22 EP disclosed
US-20130203728-A1 PYRROLIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2013-08-08 US disclosed
EP-2391615-B1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2013-01-16 EP disclosed
US-8324248-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
EP-2513084-A1 PYRROLIDINE DERIVATIVES AS NK - 3 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
CN-102656157-A Pyrrolidine derivatives as NK-3 receptor antagonists HOFFMANN LA ROCHE 2012-09-05 CN disclosed
EP-2391615-A1 Piperidine derivatives as nk3 receptor antagonists F. Hoffmann-La Roche AG (CH) 2011-12-07 EP disclosed
US-20110152233-A1 PYRROLIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 US disclosed
WO-2011073160-A1 PYRROLIDINE DERIVATIVES AS NK - 3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO disclosed
US-20100197697-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-05 US disclosed
WO-2010086259-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-05 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 (4 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-20130203728-A1 PYRROLIDINE COMPOUNDS SLC6A3, OPRL1, OPRK1 MALT1 3170/4885PDE4D 285/4885PDE4A 382/4885
US-20110152233-A1 PYRROLIDINE COMPOUNDS SLC6A3, OPRL1, OPRK1 MALT1 3170/4885PDE4D 285/4885PDE4A 382/4885
US-20100197697-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS OPRK1, OPRM1, OPRL1 MALT1 1343/4885PDE4D 678/4885PDE4A 820/4885
US-20230219937-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF RIPK1, RIPK4, RIPK2 MALT1 813/4885PDE4D 1946/4885PDE4A 1469/4885

“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.