SCHEMBL3361739

SCHEMBL3361739

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.75
DRD2 P14416 1/20 0.69
DRD4 P21917 1/20 0.69
SIGMAR1 Q99720 2/20 0.62

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
SCHEMBL10355480 1.00 DRD3 (0.75) DRD3DRD2DRD4SIGMAR1
SCHEMBL10355675 1.00 DRD3 (0.75) DRD3DRD2DRD4SIGMAR1
SCHEMBL10762595 0.91 DRD3 (0.77) DRD3DRD2DRD4SIGMAR1
SCHEMBL3362963 0.89 DRD2 (0.69) DRD3DRD2DRD4
SCHEMBL10355469 0.86 DRD3 (1.00) DRD3DRD2DRD4
SCHEMBL10355542 0.86 DRD3 (1.00) DRD3DRD2DRD4
SCHEMBL5477770 0.86 DRD3 (1.00) DRD3DRD2DRD4
SCHEMBL11464054 0.83 DRD2 (0.77) DRD2
Hydrochloric Acid SCHEMBL11470841 0.82 DRD2 (0.75) DRD2
SCHEMBL9500719 0.82 DRD2 (0.69) DRD3DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0207913-B1 CATECHOL CARBOXAMIDES, PROCESS FOR THEIR PREPARATION, INTERMEDIATES AND A PHARMACEUTICAL PREPARATION Astra Läkemedel Aktiebolag (SE) 1990-10-31 EP disclosed
EP-0207913-A1 Catechol carboxamides, process for their preparation, intermediates and a pharmaceutical preparation Astra Läkemedel Aktiebolag (SE) 1987-01-07 EP disclosed
WO-1986007591-A1 CATECHOLCARBOXAMIDES, PROCESS FOR THEIR PREPARATION, INTERMEDIATES AND A PHARMACEUTICAL PREPARATION Astra Läkemedel Aktiebolag (SE) 1986-12-31 WO 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 80/4885DRD2 59/4885DRD4 82/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 DRD3 2912/4885DRD2 3870/4885DRD4 2928/4885

“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.