SCHEMBL4074303

SCHEMBL4074303

O=C(O)N1CCC(c2ccccn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.53
SPR P35270 1/20 0.51
USP30 Q70CQ3 1/20 0.50
KDM5A P29375 1/20 0.49
DRD4 P21917 9/20 0.48
DRD2 P14416 4/20 0.47
DRD3 P35462 3/20 0.47
SCD5 Q86SK9 2/20 0.47
NAMPT P43490 1/20 0.45
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44

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
SCHEMBL2806341 0.91 HSD11B1 (0.60) HSD11B1SPRUSP30KDM5ADRD4
SCHEMBL16565554 0.86 ACHE (0.56) HSD11B1SPRDRD4DRD2SCD5
SCHEMBL14781405 0.86 HSD11B1 (0.52) HSD11B1SPRUSP30KDM5ADRD4
SCHEMBL15755669 0.84 HSD11B1 (0.51) HSD11B1SPRUSP30KDM5ADRD4
SCHEMBL1740411 0.83 HSD11B1 (0.49) HSD11B1SPRUSP30KDM5ASCD5
SCHEMBL31228434 0.83 HSD11B1 (0.49) HSD11B1SPRUSP30KDM5ASCD5
SCHEMBL6347014 0.83 HSD11B1 (0.53) HSD11B1SPRUSP30KDM5ADRD4
SCHEMBL19659044 0.82 DRD4 (0.50) HSD11B1SPRUSP30KDM5ADRD4
SCHEMBL19652164 0.82 KDM5A (0.54) HSD11B1SPRUSP30KDM5ADRD4
SCHEMBL29640084 0.80 HSD11B1 (0.59) HSD11B1SPRUSP30KDM5ADRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240391901-A1 SUBSTITUTED HETEROCYCLIC COMPOUND CONTAINING ALPHA-KETONE FRAMEWORK, AND USE THEREOF CHINA PHARMACEUTICAL UNIVERSITY (CN) 2024-11-28 US disclosed
US-9732065-B2 Cyclic aminomethyl pyrimidine derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-08-15 US disclosed
US-20160122319-A1 CYCLIC AMINOMETHYL PYRIMIDINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-05-05 US disclosed
EP-3006438-A1 CYCLIC AMINOMETHYL PYRIMIDINE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2016-04-13 EP disclosed
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 US disclosed
EP-2099454-A2 AMINOPYRROLIDINES AS CHEMOKINE RECEPTOR ANTAGONISTS Abbott Laboratories (US) 2009-09-16 EP disclosed
CN-101534824-A Aminopyrrolidines as chemokine receptor antagonists ABBOTT LAB (US) 2009-09-16 CN disclosed
US-7456170-B2 Triazolobenzodiazepines and their use as vasopressin antagonists PFIZER INC. (US) 2008-11-25 US disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 US disclosed
WO-2008060621-A2 AMINOPYRROLIDINES AS CHEMOKINE RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2008-05-22 WO disclosed
WO-2008033389-A2 MACROCYCLIC HCV INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2008-03-20 WO disclosed
US-20070249585-A1 Triazolobenzodiazepines and Their Use as Vasopressin Antagonists PFIZER INC. 2007-10-25 US disclosed
EP-1784408-A1 TRIAZOLOBENZODIAZEPINES AND THEIR USE AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2007-05-16 EP disclosed
WO-2006021882-A1 TRIAZOLOBENZODIAZEPINES AND THEIR USE AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-03-02 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-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone MIF, CCL5, CCR2 HSD11B1 251/4885SPR 1000/4885USP30 4814/4885
US-20160122319-A1 CYCLIC AMINOMETHYL PYRIMIDINE DERIVATIVE DRD2, DRD4, DRD1 HSD11B1 829/4885SPR 1980/4885USP30 3702/4885
US-20070249585-A1 Triazolobenzodiazepines and Their Use as Vasopressin Antagonists AVPR2, AVPR1A, AVPR1B HSD11B1 577/4885SPR 970/4885USP30 3484/4885
US-20240391901-A1 SUBSTITUTED HETEROCYCLIC COMPOUND CONTAINING ALPHA-KETONE FRAMEWORK, AND USE THEREOF FAAH, FAAH2, FAH HSD11B1 152/4885SPR 2803/4885USP30 1611/4885

“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.