SCHEMBL20528485

SCHEMBL20528485

O=C(O)N1CCNC[C@H]1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
RIPK1 Q13546 3/20 0.43
TAAR1 Q96RJ0 1/20 0.43
SLC18A3 Q16572 1/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
USP19 O94966 2/20 0.41
MAPK1 P28482 1/20 0.41
CYP2D6 P10635 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL21801033 1.00 DPP4 (0.46) DPP4DPP7RIPK1TAAR1SLC18A3
SCHEMBL2935422 1.00 DPP4 (0.46) DPP4DPP7RIPK1TAAR1SLC18A3
Hydrochloric Acid SCHEMBL9258072 0.98 DPP4 (0.46) DPP4DPP7RIPK1TAAR1SLC18A3
SCHEMBL7749807 0.90 RIPK1 (0.46) DPP4DPP7RIPK1TAAR1SLC18A3
SCHEMBL8496002 0.87 DPP4 (0.45) DPP4DPP7RIPK1TAAR1SLC18A3
SCHEMBL3314580 0.87 DPP4 (0.53) DPP4DPP7HTR2AHTR2CHTR2B
SCHEMBL2386164 0.87 DPP4 (0.47) DPP4DPP7RIPK1TAAR1SLC18A3
SCHEMBL1580100 0.87 POLB (0.54) DPP4DPP7RIPK1TAAR1SLC18A3
SCHEMBL15636064 0.86 DPP4 (0.41) DPP4DPP7HTR2AHTR2CHTR2B
SCHEMBL16261916 0.86 DPP4 (0.41) DPP4DPP7RIPK1HTR2AHTR2C

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
US-20240217990-A1 THIENOPYRROLE COMPOUNDS GILEAD SCIENCES, INC. 2024-07-04 US disclosed
US-20220112187-A1 PYRAZOLOPYRIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2022-04-14 US disclosed
EP-3849974-A1 PYRAZOLOPYRIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-07-21 EP disclosed
US-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-10 US disclosed
US-10787446-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2020-09-29 US disclosed
WO-2020052738-A1 PYRAZOLOPYRIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-03-19 WO disclosed
US-20180291014-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-10-11 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 (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-20220112187-A1 PYRAZOLOPYRIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, KCNJ1, KCNJ11 DPP4 537/4885DPP7 889/4885RIPK1 1762/4885
US-20240217990-A1 THIENOPYRROLE COMPOUNDS SSB, TPMT, LCP2 DPP4 2144/4885DPP7 1735/4885RIPK1 840/4885
US-20180291014-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AVPR1B, C3AR1, RHEB DPP4 3012/4885DPP7 2569/4885RIPK1 3202/4885
US-10787446-B2 Therapeutic compounds and methods of use thereof AVPR1B, C3AR1, RHEB DPP4 3012/4885DPP7 2569/4885RIPK1 3202/4885
US-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AVPR1B, C3AR1, RHEB DPP4 3012/4885DPP7 2569/4885RIPK1 3202/4885

“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.