SCHEMBL3080435

SCHEMBL3080435

CC(C)(C)OC(=O)N1CCC2C(=O)c3ccc(-c4ccc(Cl)cc4Cl)cc3C2C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.42
CNR2 P34972 2/20 0.42
MAPK8 P45983 1/20 0.40
STS P08842 4/20 0.40
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
USP30 Q70CQ3 3/20 0.39
PAK1 Q13153 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DPP4 P27487 1/20 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
SCHEMBL3080431 1.00 CNR1 (0.42) CNR1CNR2MAPK8STSPTPN2
SCHEMBL3072601 0.84 CNR1 (0.42) CNR1CNR2STSPTPN2PTPN1
SCHEMBL3072600 0.84 CNR1 (0.42) CNR1CNR2STSPTPN2PTPN1
SCHEMBL6220469 0.82 CNR1 (0.45) CNR1CNR2STSPTPN2PTPN1
SCHEMBL6216273 0.82 CNR1 (0.42) CNR1CNR2STSPTPN2PTPN1
SCHEMBL6668708 0.82 CNR1 (0.41) CNR1CNR2STSPTPN2PTPN1
SCHEMBL5848881 0.78 GPR119 (0.40) CNR1CNR2MAPK8STSUSP30
SCHEMBL5847234 0.77 CNR1 (0.41) CNR1CNR2STSUSP30PAK1
SCHEMBL6670108 0.77 CNR1 (0.39) CNR1CNR2STSUSP30PAK1
SCHEMBL6216941 0.77 CNR1 (0.39) CNR1CNR2STSUSP30PAK1

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-7795436-B2 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-14 US disclosed
US-20070049613-A1 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 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-20070049613-A1 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists HTR2B, HTR2C, HTR1A CNR1 21/4885CNR2 25/4885MAPK8 3383/4885

“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.