SCHEMBL3072925

SCHEMBL3072925

Cc1cc(-c2ccc(Cl)cc2Cl)cc2c1CC1CCN(Cc3ccccc3)CC21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.44
CNR1 P21554 1/20 0.41
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
BACE1 P56817 2/20 0.41
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL3072924 1.00 DPP4 (0.44) DPP4CNR1BCHEACHEBACE1
SCHEMBL3078391 0.88 MCHR1 (0.44) BCHEACHEBACE1DRD2SIGMAR1
SCHEMBL3078389 0.88 MCHR1 (0.44) BCHEACHEBACE1DRD2SIGMAR1
SCHEMBL3083280 0.79 DRD2 (0.46) BCHEACHEBACE1DRD2DRD3
SCHEMBL3083277 0.79 DRD2 (0.46) BCHEACHEBACE1DRD2DRD3
SCHEMBL3075236 0.75 DPP4 (0.47) DPP4CNR1BCHEACHEBACE1
SCHEMBL3075231 0.75 DPP4 (0.47) DPP4CNR1BCHEACHEBACE1
SCHEMBL3081855 0.71 MCHR1 (0.37) SIGMAR1MAPT
SCHEMBL3081860 0.71 MCHR1 (0.37) SIGMAR1MAPT
SCHEMBL3065444 0.68 MEN1 (0.40) DPP4ALDH1A1KDM4EGAAMAPT

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 21/4885BCHE 1890/4885

“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.