SCHEMBL3024564

SCHEMBL3024564

Clc1cccc2c1COC1CN(Cc3ccccc3)CC21

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.46
DRD2 P14416 6/20 0.46
DRD3 P35462 6/20 0.46
RORC P51449 1/20 0.40
FUCA1 P04066 2/20 0.39
SIGMAR1 Q99720 5/20 0.39
CCR5 P51681 2/20 0.38
CNR2 P34972 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
SCHEMBL3024559 1.00 DPP4 (0.46) DPP4DRD2DRD3RORCFUCA1
SCHEMBL3024562 1.00 DPP4 (0.46) DPP4DRD2DRD3RORCFUCA1
SCHEMBL8065470 0.89 SIGMAR1 (0.44) DPP4DRD2DRD3SIGMAR1CCR5
SCHEMBL3033885 0.89 SIGMAR1 (0.44) DPP4DRD2DRD3SIGMAR1CCR5
SCHEMBL3020333 0.89 SIGMAR1 (0.44) DPP4DRD2DRD3SIGMAR1CCR5
SCHEMBL3020328 0.89 SIGMAR1 (0.44) DPP4DRD2DRD3SIGMAR1CCR5
SCHEMBL3033888 0.89 SIGMAR1 (0.44) DPP4DRD2DRD3SIGMAR1CCR5
SCHEMBL3028885 0.89 DPP4 (0.45) DPP4DRD2DRD3RORCFUCA1
SCHEMBL3028877 0.89 DPP4 (0.45) DPP4DRD2DRD3RORCFUCA1
SCHEMBL3028880 0.89 DPP4 (0.45) DPP4DRD2DRD3RORCFUCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON 2010-08-19 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-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES TPH1, HTR2C, TPH2 DPP4 903/4885DRD2 30/4885DRD3 54/4885

“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.