SCHEMBL3361901

SCHEMBL3361901

CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccccc2)CCO1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 8/20 0.85
CYP3A4 P08684 3/20 0.85
CYP1A2 P05177 2/20 0.85
ADRA2A P08913 2/20 0.85
CYP2C9 P11712 2/20 0.85
ADRA2B P18089 2/20 0.85
HTR2C P28335 2/20 0.85
HTR2B P41595 2/20 0.85
KCNH2 Q12809 2/20 0.85
MEN1 O00255 1/20 0.85
LMNA P02545 1/20 0.85
HTR1A P08908 1/20 0.85
ADORA3 P0DMS8 1/20 0.85
SLC6A4 P31645 1/20 0.85
CYP2C19 P33261 1/20 0.85
KMT2A Q03164 1/20 0.85
SIGMAR1 Q99720 1/20 0.85
DRD4 P21917 12/20 0.61
DRD2 P14416 8/20 0.61
CYP2D6 P10635 1/20 0.51

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
SCHEMBL7369773 0.95 DRD3 (0.77) DRD3CYP3A4CYP1A2ADRA2ACYP2C9
SCHEMBL7373070 0.93 DRD3 (0.74) DRD3CYP3A4CYP1A2ADRA2ACYP2C9
SCHEMBL7376381 0.92 DRD3 (0.77) DRD3CYP3A4CYP1A2ADRA2ACYP2C9
Mosapride SCHEMBL29400580 0.92 DRD3 (1.00) DRD3CYP3A4CYP1A2ADRA2ACYP2C9
Mosapride SCHEMBL16417 0.92 DRD3 (1.00) DRD3CYP3A4CYP1A2ADRA2ACYP2C9
Mosapride SCHEMBL6228981 0.92 DRD3 (1.00) DRD3CYP3A4CYP1A2ADRA2ACYP2C9
SCHEMBL7371801 0.92 DRD3 (0.72) DRD3CYP3A4CYP1A2ADRA2ACYP2C9
SCHEMBL1502026 0.91 DRD4 (0.73) DRD3CYP3A4CYP1A2ADRA2ACYP2C9
SCHEMBL7365342 0.91 DRD3 (0.76) DRD3CYP3A4CYP1A2ADRA2ACYP2C9
Mosapride SCHEMBL6227991 0.91 DRD3 (0.98) DRD3CYP3A4CYP1A2ADRA2ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4870074-A Substituted benzamide derivatives, for enhancing gastrointestinal motility DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1989-09-26 US claimed
US-20100092479-A1 Compositions and methods for treatment of viral diseases COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-04-15 US disclosed
WO-2010021681-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-02-25 WO disclosed
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-0243959-B1 SUBSTITUTED BENZAMIDE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 1992-08-19 EP disclosed
US-4870074-A Substituted benzamide derivatives, for enhancing gastrointestinal motility DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1989-09-26 US disclosed
EP-0243959-A1 Substituted benzamide derivatives, processes for the preparation thereof, and pharmaceutical compositions containing the same Dainippon Pharmaceutical Co., Ltd. (JP) 1987-11-04 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 (3 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 80/4885CYP3A4 403/4885CYP1A2 588/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 DRD3 2912/4885CYP3A4 1342/4885CYP1A2 1154/4885
US-20100092479-A1 Compositions and methods for treatment of viral diseases HAVCR2, RNASE1, EIF2AK2 DRD3 3220/4885CYP3A4 1741/4885CYP1A2 1420/4885

“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.