SCHEMBL4096386

SCHEMBL4096386

CCOC(=O)c1c(NC(=O)C2(c3ccccc3F)CCCCC2)sc2c1C1CCN2CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
KDM4E B2RXH2 4/20 0.59
HTT P42858 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
NPSR1 Q6W5P4 3/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
HPGD P15428 2/20 0.59
POLB P06746 1/20 0.59
GAA P10253 1/20 0.48
CXCR2 P25025 4/20 0.43
CXCR4 P61073 2/20 0.43
HDAC4 P56524 1/20 0.39
RECQL P46063 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TLR2 O60603 2/20 0.38

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
SCHEMBL4085420 0.74 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL4080908 0.74 TLR2 (0.50) ALDH1A1KDM4ESMN1; SMN2NPSR1HPGD
SCHEMBL4080036 0.67 GAA (0.97) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL4091261 0.64 KDM4E (0.47) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL4090895 0.62 TLR2 (0.55) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL4083898 0.61 TLR2 (0.53) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL4085480 0.61 PDE4D (0.55) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL24310740 0.60 HDAC4 (0.62) ALDH1A1HTTSMN1; SMN2NPSR1GAA
SCHEMBL2163243 0.60 CXCR2 (0.49) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL16132889 0.60 HDAC4 (1.00) HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338623-B2 N-{3-[(2,5-dimethylmorpholin-4-yl)carbonyl]-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl}hexahydro-2,5-methanopentalene-3a(1H)-carboxamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBVIE INC. (US) 2012-12-25 US disclosed
US-20090018114-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-01-15 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 (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-20090018114-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 ALDH1A1 1504/4885MEN1 3065/4885KMT2A 2505/4885

“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.