SCHEMBL396197

SCHEMBL396197

CC(C)(C)OC(=O)N1CCC(C(=O)O)(c2ccc(F)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
ALOX15 P16050 1/20 0.53
ATM Q13315 1/20 0.53
RORC P51449 5/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC1 Q13547 1/20 0.47
TET3 O43151 2/20 0.46
FBXL19 Q6PCT2 2/20 0.46
CXXC5 Q7LFL8 2/20 0.46
TET1 Q8NFU7 2/20 0.46
KDM2B Q8NHM5 2/20 0.46
CXXC4 Q9H2H0 2/20 0.46
KDM2A Q9Y2K7 2/20 0.46
TACR1 P25103 1/20 0.44
OPRM1 P35372 1/20 0.44
MLYCD O95822 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
SCHEMBL972474 0.88 TSHR (0.65) TSHRALOX15ATMKMT2ATET3
SCHEMBL31382020 0.87 TSHR (0.51) TSHRALOX15ATMRORCKMT2A
SCHEMBL12988312 0.87 TSHR (0.53) TSHRALOX15ATMRORCKMT2A
SCHEMBL654813 0.87 KMT2A (0.59) TSHRALOX15ATMKMT2AMEN1
SCHEMBL28028621 0.87 TSHR (0.56) TSHRALOX15ATMRORCKMT2A
SCHEMBL29087370 0.86 TSHR (0.47) TSHRALOX15ATMRORCKMT2A
SCHEMBL28953849 0.86 TET3 (0.64) TSHRALOX15ATMKMT2ATET3
SCHEMBL8352820 0.84 TSHR (0.53) TSHRALOX15ATMKMT2ATET3
SCHEMBL348394 0.84 TSHR (0.50) TSHRALOX15ATMRORCKMT2A
SCHEMBL4778727 0.84 RORC (0.51) TSHRALOX15ATMRORCKMT2A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250092036-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING THE ACTIVITY OF ERK NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2025-03-20 US disclosed
WO-2025037229-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING THE ACTIVITY OF ERK NOVARTIS AG (CH) 2025-02-20 WO disclosed
US-8383821-B2 NK-1 and serotonin transporter inhibitors BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-02-26 US disclosed
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
EP-2408745-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2012-01-25 EP disclosed
US-8071778-B2 Substituted heterocyclic ethers and their use in CNS disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2011-12-06 US disclosed
US-8026257-B2 Substituted heterocyclic ethers and their use in CNS disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-27 US disclosed
US-8026257-B2 Substituted heterocyclic ethers and their use in CNS disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-27 US disclosed
US-8026257-B2 Substituted heterocyclic ethers and their use in CNS disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-27 US disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 US disclosed
US-20090018132-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 US disclosed
US-20090018132-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 US disclosed
US-20090018132-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 US disclosed
WO-2009009411-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-15 WO disclosed
WO-2009009411-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-15 WO disclosed
WO-2008014247-A2 4 -ARYLALKOXYMETHYL-4- PHENYL PIPERIDINES AND THEIR USE AS NEUROKININ RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-31 WO disclosed
US-20080027056-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2008-01-31 US disclosed
US-20070249607-A1 NK-1 AND SEROTONIN TRANSPORTER INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
WO-2007121389-A2 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AS NK-I AND SEROTONIN TRANSPORTER INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-10-25 WO disclosed
US-20060128752-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2006-06-15 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 (6 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-20080027056-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS CNR1, CNR2, PMP22 TSHR 1415/4885ALOX15 2231/4885ATM 4718/4885
US-20060128752-A1 Chemical compounds HTR7, NPSR1, TACR2 TSHR 40/4885ALOX15 4288/4885ATM 3525/4885
US-20250092036-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING THE ACTIVITY OF ERK MAPK1, MAP3K1, MAPK6 TSHR 3182/4885ALOX15 1785/4885ATM 760/4885
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HTR3A, OPRL1, OPRK1 TSHR 895/4885ALOX15 3133/4885ATM 2243/4885
US-20070249607-A1 NK-1 AND SEROTONIN TRANSPORTER INHIBITORS SLC6A4, TPH1, SLC6A2 TSHR 1061/4885ALOX15 1718/4885ATM 2501/4885
US-20090018132-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders CNR1, CNR2, PMP22 TSHR 1415/4885ALOX15 2231/4885ATM 4718/4885

“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.