SCHEMBL3982843

SCHEMBL3982843

CC(=Cc1ccccc1)CNCC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
PKM P14618 1/20 0.61
TGFBR1 P36897 6/20 0.51
GPR119 Q8TDV5 2/20 0.49
STS P08842 1/20 0.47
KDM1A O60341 1/20 0.47
HTR6 P50406 1/20 0.47
TP53 P04637 1/20 0.46
YAP1 P46937 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL3977266 1.00 KDM4E (0.61) KDM4EPKMTGFBR1GPR119STS
SCHEMBL3541890 0.82 ALDH1A1 (0.50) KDM4EPKMKDM1ATP53LMNA
SCHEMBL13316325 0.82 ALDH1A1 (0.50) KDM4EPKMKDM1ATP53LMNA
SCHEMBL3539984 0.82 ALDH1A1 (0.50) KDM4EPKMKDM1ATP53LMNA
SCHEMBL3539982 0.82 ALDH1A1 (0.50) KDM4EPKMKDM1ATP53LMNA
SCHEMBL3595874 0.82 ALDH1A1 (0.50) KDM4EPKMKDM1ATP53LMNA
SCHEMBL18172576 0.81 KDM1A (0.60) KDM4EPKMTGFBR1GPR119STS
SCHEMBL18172579 0.81 KDM1A (0.60) KDM4EPKMTGFBR1GPR119STS
SCHEMBL14419140 0.79 KDM4E (0.73) KDM4EPKMGPR119
SCHEMBL7985552 0.79 KDM4E (0.69) KDM4EPKMTGFBR1GPR119STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517991-B2 N-sulfonylpiperidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-14 US disclosed
EP-1814550-A2 N-SULFONYLPIPERIDINE CANNABINOID RECEPTOR 1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2007-08-08 EP disclosed
WO-2006044362-A2 N-SULFONYLPIPERIDINE CANNABINOID RECEPTOR 1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-27 WO disclosed
US-20060079556-A1 N-sulfonylpiperidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2006-04-13 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 (1 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-20060079556-A1 N-sulfonylpiperidine cannabinoid receptor 1 antagonists CNR1, CNR2, NPY1R KDM4E 2122/4885PKM 3378/4885TGFBR1 1349/4885

“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.