SCHEMBL3364117

SCHEMBL3364117

COc1cccc(C(=O)NC2CC3CCCC(C2)N3Cc2ccc(F)cc2)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 1.00
CXCR6 O00574 3/20 0.62
CXCR4 P61073 1/20 0.62
OPRK1 P41145 2/20 0.62
DRD2 P14416 1/20 0.58

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
SCHEMBL11165630 1.00 DRD3 (1.00) DRD3CXCR6CXCR4OPRK1DRD2
SCHEMBL11172665 0.92 DRD3 (0.86) DRD3CXCR6CXCR4OPRK1
SCHEMBL11166603 0.92 DRD3 (0.86) DRD3CXCR6CXCR4OPRK1
Tropapride SCHEMBL2110411 0.88 DRD3 (0.79) DRD3DRD2
SCHEMBL11166945 0.88 DRD3 (0.78) DRD3CXCR6CXCR4OPRK1DRD2
SCHEMBL11167422 0.85 DRD3 (0.74) DRD3CXCR6CXCR4OPRK1DRD2
SCHEMBL11204438 0.83 DRD3 (0.72) DRD3CXCR6CXCR4OPRK1
SCHEMBL11297735 0.82 DRD3 (0.70) DRD3DRD2
SCHEMBL3365934 0.82 DRD3 (1.00) DRD3
SCHEMBL8126666 0.78 SIGMAR1 (0.67) DRD3CXCR6DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0083737-A1 N-azabicycloalkane benzamides, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1983-07-20 EP claimed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 WO disclosed
EP-0083737-A1 N-azabicycloalkane benzamides, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1983-07-20 EP 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 (2 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A DRD3 80/4885CXCR6 1831/4885CXCR4 488/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 DRD3 2912/4885CXCR6 1037/4885CXCR4 515/4885

“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.