SCHEMBL3062147

SCHEMBL3062147

CN(C)CCc1ccccc1C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.55
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR2A P28223 4/20 0.43
HTR1A P08908 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
HTR1D P28221 1/20 0.41
AOC3 Q16853 2/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC6A2 P23975 1/20 0.38
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL9838551 0.83 ALDH1A1 (0.48) TAAR1ALDH1A1KDM4EKMT2ATSHR
SCHEMBL21123197 0.82 TAAR1 (0.58) TAAR1ALDH1A1KDM4EHTR2AHTR1A
SCHEMBL8310680 0.79 CYP2C19 (0.46) ALDH1A1KDM4EKMT2AHTR2ATSHR
SCHEMBL2693816 0.77 ALDH1A1 (0.43) ALDH1A1KDM4EHTR1ATSHRTDP1
SCHEMBL12724809 0.76 HTR1D (0.41) TAAR1ALDH1A1KDM4EHTR2AHTR1A
SCHEMBL3055366 0.75 TAAR1 (0.54) TAAR1ALDH1A1HTR2AHTR2CHTR1D
SCHEMBL9251988 0.75 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2ATSHRTDP1
SCHEMBL9364317 0.75 TDP1 (0.41) TAAR1ALDH1A1TSHRTDP1
SCHEMBL12937703 0.74 SLC6A2 (0.33) TAAR1ALDH1A1KDM4EHTR2ATSHR
SCHEMBL6547529 0.73 HTR1A (0.44) TAAR1ALDH1A1HTR1ATSHRTDP1

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-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
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 TAAR1 4519/4885ALDH1A1 2914/4885KDM4E 3664/4885

“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.