SCHEMBL7068561

SCHEMBL7068561

CCN(CC)CCOc1ccc(-n2ccnc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 10/20 0.77
CYP2C9 P11712 10/20 0.77
CYP1A2 P05177 7/20 0.77
CYP2C19 P33261 6/20 0.77
CYP3A4 P08684 8/20 0.74
CYP19A1 P11511 1/20 0.74
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
CA9 Q16790 2/20 0.60
EBP Q15125 1/20 0.49
SIGMAR1 Q99720 1/20 0.49

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
SCHEMBL10508102 0.92 CYP2D6 (0.70) CYP2D6CYP2C9CYP1A2CYP2C19CYP3A4
SCHEMBL18746335 0.92 CYP2D6 (0.74) CYP2D6CYP2C9CYP1A2CYP2C19CYP3A4
Hydrochloric Acid SCHEMBL10510793 0.91 CYP2D6 (0.68) CYP2D6CYP2C9CYP1A2CYP2C19CYP3A4
SCHEMBL14129849 0.87 CYP2D6 (1.00) CYP2D6CYP2C9CYP1A2CYP2C19CYP3A4
SCHEMBL14129854 0.85 CYP2D6 (1.00) CYP2D6CYP2C9CYP1A2CYP2C19CYP3A4
SCHEMBL10575923 0.84 CYP2D6 (0.76) CYP2D6CYP2C9CYP1A2CYP2C19CYP3A4
SCHEMBL14129968 0.83 CYP2D6 (1.00) CYP2D6CYP2C9CYP1A2CYP2C19CYP3A4
SCHEMBL10511254 0.83 CYP2D6 (0.64) CYP2D6CYP2C9CYP1A2CYP2C19CYP3A4
SCHEMBL6573617 0.82 CYP2D6 (0.72) CYP2D6CYP2C9CYP1A2CYP2C19CYP3A4
Hydrochloric Acid SCHEMBL10510495 0.82 CYP2D6 (0.63) CYP2D6CYP2C9CYP1A2CYP2C19CYP3A4

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
US-4851526-A ANTIARRYTHMIA, HYPOTENSIVE, ANTIISCHEMIC SCHERING A.G. (DE) 1989-07-25 US claimed
EP-0306440-A2 1-(4-substituted phenyl)-1H-imidazoles as cardiovascular agents SCHERING AKTIENGESELLSCHAFT (DE) 1989-03-08 EP claimed
US-20030138376-A1 Dosing form for reagents, use of said dosing form in organic chemical synthesis and production of said dosing form H. LUNDBECK A/S (DK) 2003-07-24 US disclosed
US-4851526-A ANTIARRYTHMIA, HYPOTENSIVE, ANTIISCHEMIC SCHERING A.G. (DE) 1989-07-25 US disclosed
EP-0306440-A2 1-(4-substituted phenyl)-1H-imidazoles as cardiovascular agents SCHERING AKTIENGESELLSCHAFT (DE) 1989-03-08 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 (1 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-20030138376-A1 Dosing form for reagents, use of said dosing form in organic chemical synthesis and production of said dosing form ATIC, SET, SORD CYP2D6 40/4885CYP2C9 135/4885CYP1A2 172/4885

“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.