SCHEMBL3046818

SCHEMBL3046818

CCCOc1cccc(CCN(C)C)c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.56
CYP2D6 P10635 6/20 0.52
TAAR1 Q96RJ0 3/20 0.51
HRH3 Q9Y5N1 2/20 0.51
CHRNB2 P17787 1/20 0.51
CHRNA4 P43681 1/20 0.51
NOS1 P29475 2/20 0.51
NOS2 P35228 1/20 0.51
AOC3 Q16853 1/20 0.50
KCNH2 Q12809 1/20 0.48
BCHE P06276 1/20 0.48

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
SCHEMBL3059078 0.92 CYP2D6 (0.60) ACHECYP2D6TAAR1HRH3NOS1
SCHEMBL3066066 0.87 ACHE (0.59) ACHECYP2D6TAAR1NOS1NOS2
SCHEMBL21657552 0.86 KDM4E (0.54) ACHECYP2D6TAAR1HRH3CHRNB2
SCHEMBL12844412 0.86 CYP2D6 (0.53) CYP2D6HRH3CHRNB2CHRNA4KCNH2
SCHEMBL10950517 0.84 ACHE (0.54) ACHECYP2D6TAAR1HRH3CHRNB2
SCHEMBL9166584 0.83 DHFR (0.51) CYP2D6KCNH2
SCHEMBL4297942 0.83 MEP1B (0.50) CYP2D6HRH3CHRNB2CHRNA4NOS1
SCHEMBL16858365 0.83 CHRNB2 (0.67) CHRNB2CHRNA4NOS1NOS2
SCHEMBL10235885 0.81 KMT2A (0.54) CYP2D6KCNH2BCHE
SCHEMBL11245203 0.81 LTA4H (0.59) TAAR1HRH3CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101939326-B Method for producing cycloplatinized platinum complexes, platinum complexes produced by said method, and the use thereof RWTH AACHEN UNIVERSITY 2013-06-05 CN disclosed
US-8394979-B2 Process for preparing cycloplatinated platinum complexes, platinum complexes prepared by this process and the use thereof RHEINISCHE-WESTFALISCHE TECHNISCHE HOCHSCHULE AACHEN (DE) 2013-03-12 US disclosed
CN-101939326-A Method for producing cycloplatinized platinum complexes, platinum complexes produced by said method, and the use thereof RWTH AACHEN 2011-01-05 CN disclosed
US-20100267977-A1 METHOD FOR PRODUCING CYCLOPLATINIZED PLATINUM COMPLEXES, PLATINUM COMPLEXES PRODUCED BY SAID METHOD, AND THE USE THEREOF RHEINISCHE-WESTFALISCHE TECHNISCHE HOCHSCHULE AACHEN (DE) 2010-10-21 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 (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-20100267977-A1 METHOD FOR PRODUCING CYCLOPLATINIZED PLATINUM COMPLEXES, PLATINUM COMPLEXES PRODUCED BY SAID METHOD, AND THE USE THEREOF THPO, MCL1, PPOX ACHE 3877/4885CYP2D6 1178/4885TAAR1 4519/4885

“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.