SCHEMBL4678480

SCHEMBL4678480

CC(C)CN1CC(C(=O)O)C1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
S1PR5 Q9H228 10/20 0.45
S1PR1 P21453 10/20 0.45
PIK3CD O00329 2/20 0.45
MAPT P10636 1/20 0.41
S1PR3 Q99500 4/20 0.38
S1PR4 O95977 2/20 0.38
ARG1 P05089 1/20 0.37
ARG2 P78540 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
SCHEMBL12443041 0.84 POLB (0.47) POLBS1PR5S1PR1PIK3CDS1PR3
SCHEMBL30479891 0.83 POLB (0.42) POLBS1PR5S1PR1MAPTS1PR3
SCHEMBL12000479 0.83 PIK3CD (0.48) POLBS1PR5S1PR1PIK3CDARG1
SCHEMBL23557645 0.81 KMT2A (0.51) POLB
SCHEMBL21047360 0.81 KMT2A (0.51) POLB
SCHEMBL16941603 0.81 PIK3CD (0.44) POLBPIK3CDARG1ARG2
SCHEMBL13905851 0.81 S1PR1 (0.48) POLBS1PR5S1PR1MAPTS1PR3
SCHEMBL321619 0.79 PIK3CD (0.50) POLBS1PR5PIK3CD
SCHEMBL13905850 0.79 S1PR5 (0.42) POLBS1PR5S1PR1S1PR3S1PR4
SCHEMBL12391370 0.78 PIK3CD (0.45) POLBS1PR5S1PR1PIK3CDARG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1417190-B1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-10-22 EP claimed
US-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 US claimed
US-7115607-B2 Substituted piperazinyl amides and methods of use AMGEN INC. (US) 2006-10-03 US claimed
EP-1417190-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgen Inc. (US) 2004-05-12 EP claimed
US-20030220324-A1 Substituted piperazines and methods of use AMGEN INC. 2003-11-27 US claimed
WO-2003009850-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC. (US) 2003-02-06 WO claimed
EP-4234030-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2023-08-30 EP disclosed
WO-2022212769-A1 COMPOSITIONS FOR BINDING SPHINGOSINE-1-PHOSPHATE RECEPTOR 1 (S1P1), IMAGING OF S1P1, AND PROCESSES FOR PREPARATION THEREOF WASHINGTON UNIVERSITY (US) 2022-10-06 WO disclosed
US-20210024494-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2021-01-28 US disclosed
US-10774071-B2 PD-1/PD-L1 inhibitors GILEAD SCIENCES, INC. (US) 2020-09-15 US disclosed
US-20200207726-A1 INDOLINYL SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE LYCERA CORPORATION 2020-07-02 US disclosed
US-10676467-B2 Compositions for binding sphingosine-1-phosphate receptor 1 (S1P1), imaging of S1P1, and methods of use thereof WASHINGTON UNIVERSITY (US) 2020-06-09 US disclosed
US-20200017471-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2020-01-16 US disclosed
US-20190002450-A1 COMPOSITIONS FOR BINDING SPHINGOSINE-1-PHOSPHATE RECEPTOR 1 (S1P1), IMAGING OF S1P1, AND METHODS OF USE THEREOF WASHINGTON UNIVERSITY (US) 2019-01-03 US disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
US-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
WO-2009032326-A1 NEW TETRACYCLINE DERIVATIVES AS ANTIINFECTIVE AGENTS DR. REDDY'S LABORATORIES LTD. (IN) 2009-03-12 WO disclosed
US-20080280876-A1 Novel oxadiazole compounds ABBVIE INC. 2008-11-13 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 (10 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-10774071-B2 PD-1/PD-L1 inhibitors PDCD1, CD274, PDCD1LG2 POLB 486/4885S1PR5 3075/4885S1PR1 1983/4885
US-20030220324-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R POLB 2338/4885S1PR5 184/4885S1PR1 427/4885
US-20110207704-A1 Novel Oxadiazole Compounds S1PR3, S1PR1, S1PR2 POLB 4331/4885S1PR5 4/4885S1PR1 2/4885
US-20200207726-A1 INDOLINYL SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE RORA, RORC, RORB POLB 4324/4885S1PR5 655/4885S1PR1 748/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R POLB 2338/4885S1PR5 184/4885S1PR1 427/4885
US-20190002450-A1 COMPOSITIONS FOR BINDING SPHINGOSINE-1-PHOSPHATE RECEPTOR 1 (S1P1), IMAGING OF S1P1, AND METHODS OF USE THEREOF S1PR1, S1PR2, S1PR3 POLB 3855/4885S1PR5 4/4885S1PR1 1/4885
US-20200017471-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 POLB 486/4885S1PR5 3075/4885S1PR1 1983/4885
US-20080280876-A1 Novel oxadiazole compounds S1PR3, S1PR1, S1PR2 POLB 4331/4885S1PR5 4/4885S1PR1 2/4885
US-10676467-B2 Compositions for binding sphingosine-1-phosphate receptor 1 (S1P1), imaging of S1P1, and methods of use thereof S1PR1, S1PR2, S1PR3 POLB 3855/4885S1PR5 4/4885S1PR1 1/4885
US-20210024494-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 POLB 486/4885S1PR5 3075/4885S1PR1 1983/4885

“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.