SCHEMBL3362963

SCHEMBL3362963

COc1cc(I)cc(C(=O)NCC2CCCN2Cc2ccc(F)cc2)c1OC

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.69
DRD4 P21917 1/20 0.69
DRD3 P35462 1/20 0.69

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
SCHEMBL10355675 0.89 DRD3 (0.75) DRD2DRD4DRD3
SCHEMBL10355480 0.89 DRD3 (0.75) DRD2DRD4DRD3
SCHEMBL3361739 0.89 DRD3 (0.75) DRD2DRD4DRD3
SCHEMBL9500719 0.89 DRD2 (0.69) DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL9652364 0.88 DRD2 (0.67) DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL9502355 0.88 DRD2 (0.67) DRD2DRD4DRD3
Epidepride SCHEMBL8961800 0.86 DRD2 (0.81) DRD2DRD4DRD3
Epidepride SCHEMBL8961795 0.86 DRD2 (0.81) DRD2DRD4DRD3
Epidepride SCHEMBL29521228 0.86 DRD2 (0.81) DRD2DRD4DRD3
SCHEMBL11464054 0.83 DRD2 (0.77) DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0317873-B1 RADIOIODINATED BENZAMIDES AND METHOD OF THEIR USE AS RADIOIMAGING AGENTS THE VANDERBILT UNIVERSITY (US) 1993-05-12 EP claimed
EP-0317873-A1 Radioiodinated benzamides and method of their use as radioimaging agents THE VANDERBILT UNIVERSITY (US) 1989-05-31 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
US-5446147-A Imaging agent TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1995-08-29 US disclosed
US-5446147-A Imaging agent TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1995-08-29 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 (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 DRD2 59/4885DRD4 82/4885DRD3 80/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 DRD2 3870/4885DRD4 2928/4885DRD3 2912/4885

“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.