SCHEMBL3075236

SCHEMBL3075236

O=C1c2ccc(-c3ccc(Cl)cc3Cl)cc2C2CN(Cc3ccccc3)CCC12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.47
CNR1 P21554 1/20 0.45
DRD2 P14416 4/20 0.44
SIGMAR1 Q99720 4/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
SLC6A12 P48065 1/20 0.43
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
BACE1 P56817 2/20 0.43
TRPV4 Q9HBA0 1/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL3075231 1.00 DPP4 (0.47) DPP4CNR1DRD2SIGMAR1HTR2A
SCHEMBL3072510 0.82 DPP4 (0.48) DPP4CNR1DRD2SIGMAR1HTR2A
SCHEMBL3072507 0.82 DPP4 (0.48) DPP4CNR1DRD2SIGMAR1HTR2A
SCHEMBL1895773 0.81 DRD2 (0.55) DPP4DRD2SIGMAR1HTR2AHTR2C
SCHEMBL3085547 0.80 DRD2 (0.49) DRD2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL3085544 0.80 DRD2 (0.49) DRD2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL3072925 0.75 DPP4 (0.44) DPP4CNR1DRD2SIGMAR1SLC6A12
SCHEMBL3072924 0.75 DPP4 (0.44) DPP4CNR1DRD2SIGMAR1SLC6A12
SCHEMBL1891551 0.72 DPP4 (0.49) DPP4DRD2SIGMAR1HTR2AHTR2C
SCHEMBL3080435 0.72 CNR1 (0.42) DPP4CNR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070049613-A1 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 US claimed
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 DPP4 430/4885CNR1 21/4885DRD2 95/4885

“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.