SCHEMBL3362178

SCHEMBL3362178

COc1cc(N)c(Cl)cc1C(=O)NC1CC[N+]([O-])(Cc2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 5/20 0.69
▸ DRD2 P14416 4/20 0.69
▸ DRD3 P35462 3/20 0.69
▸ CYP3A4 P08684 2/20 0.69
▸ CYP1A2 P05177 1/20 0.69
▸ ADRA2A P08913 1/20 0.69
▸ CYP2D6 P10635 1/20 0.69
▸ CYP2C9 P11712 1/20 0.69
▸ ADRA2B P18089 1/20 0.69
▸ ADRA2C P18825 1/20 0.69
▸ ACHE P22303 1/20 0.69
▸ SLC6A2 P23975 1/20 0.69
▸ HTR2A P28223 1/20 0.69
▸ HTR2C P28335 1/20 0.69
▸ ADRA1A P35348 1/20 0.69
▸ OPRK1 P41145 1/20 0.69
▸ HTR2B P41595 1/20 0.69
▸ CHRNA4 P43681 1/20 0.69
▸ HTR3A P46098 1/20 0.69
▸ SLC6A3 Q01959 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
Clebopride SCHEMBL25259199 0.82 DRD4 (1.00) DRD4DRD2DRD3CYP3A4CYP1A2
Clebopride SCHEMBL25710 0.82 DRD4 (1.00) DRD4DRD2DRD3CYP3A4CYP1A2
Clebopride SCHEMBL9867307 0.81 DRD4 (0.98) DRD4DRD2DRD3CYP3A4CYP1A2
SCHEMBL15650737 0.80 HTR4 (0.83) DRD4DRD2DRD3CYP3A4CYP1A2
SCHEMBL11472928 0.78 DRD4 (1.00) DRD4DRD2DRD3CYP3A4CYP1A2
Clebopride SCHEMBL2323732 0.78 CYP3A4 (1.00) DRD4DRD2DRD3CYP3A4CYP1A2
Clebopride SCHEMBL4537448 0.78 CYP3A4 (1.00) DRD4DRD2DRD3CYP3A4CYP1A2
Clebopride SCHEMBL2323725 0.78 CYP3A4 (1.00) DRD4DRD2DRD3CYP3A4CYP1A2
SCHEMBL11533888 0.78 DRD4 (0.92) DRD4DRD2DRD3CYP3A4CYP1A2
SCHEMBL7345151 0.77 DRD4 (0.72) DRD4DRD2DRD3CYP3A4CYP1A2

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 2 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

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 DRD4 82/4885DRD2 59/4885DRD3 80/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 DRD4 2928/4885DRD2 3870/4885DRD3 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.

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