SCHEMBL2937482

SCHEMBL2937482

COc1ccccc1CCN(C)C

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.73
TAAR1 Q96RJ0 4/20 0.60
SIGMAR1 Q99720 2/20 0.56
HTR6 P50406 2/20 0.55
CHRM2 P08172 1/20 0.54
HTR7 P34969 3/20 0.51
HTR2A P28223 1/20 0.51
KCNH2 Q12809 1/20 0.51
BCHE P06276 1/20 0.51
HTR1A P08908 1/20 0.50

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
Hydrochloric Acid SCHEMBL8509376 0.98 AOC3 (0.71) AOC3TAAR1SIGMAR1HTR6CHRM2
SCHEMBL11257616 0.84 HTR7 (0.66) AOC3TAAR1HTR7
SCHEMBL6601575 0.83 AOC3 (0.67) AOC3TAAR1SIGMAR1CHRM2HTR2A
SCHEMBL28858018 0.83 TAAR1 (0.75) AOC3TAAR1SIGMAR1CHRM2KCNH2
SCHEMBL6601574 0.82 AOC3 (0.65) AOC3TAAR1SIGMAR1CHRM2KCNH2
SCHEMBL27367183 0.82 HTR6 (0.61) AOC3TAAR1HTR6HTR7HTR2A
SCHEMBL11262970 0.81 HRH1 (0.57) AOC3CHRM2HTR7
SCHEMBL8703033 0.81 HRH1 (0.61) AOC3HTR7
SCHEMBL3053778 0.81 MAPT (0.53) AOC3TAAR1
SCHEMBL31331965 0.80 HTR2A (0.61) AOC3HTR6HTR7HTR2AHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2220100-B1 CHIRAL CYCLOPLATINIZED COMPLEXES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE IN MEDICINE AND CATALYSTS RWTH AACHEN (DE) 2013-02-20 EP 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
EP-2220100-A2 CHIRAL CYCLOPLATINIZED COMPLEXES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE IN MEDICINE AND CATALYSTS Rheinisch-Westfälisch-Technische Hochschule Aachen (DE) 2010-08-25 EP disclosed
WO-2009077462-A2 CHIRAL CYCLOPLATINIZED COMPLEXES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE IN MEDICINE AND CATALYSTS Rheinisch-Westfälische Technische Hochschule Aachen (DE) 2009-06-25 WO disclosed
EP-0901459-A1 CALCILYTIC COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1999-03-17 EP disclosed
WO-1997037967-A1 CALCILYTIC COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1997-10-16 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 (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 AOC3 929/4885TAAR1 4519/4885SIGMAR1 4745/4885

“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.