SCHEMBL2909758

SCHEMBL2909758

CNCCc1ccccc1C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.55
ATM Q13315 1/20 0.47
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
CHRNB2 P17787 2/20 0.44
CHRNA7 P36544 2/20 0.44
CHRNA4 P43681 2/20 0.44
HTR2A P28223 3/20 0.43
HTR1A P08908 2/20 0.43
HTT P42858 1/20 0.43
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
SLC6A2 P23975 1/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL10253168 0.89 MEN1 (0.48) TAAR1ATMALDH1A1KDM4EGAA
SCHEMBL9838551 0.83 ALDH1A1 (0.48) TAAR1ATMALDH1A1KDM4EGAA
SCHEMBL13840655 0.82 TAAR1 (0.58) TAAR1ATMALDH1A1KDM4EHTR2A
SCHEMBL685489 0.79 SLC6A4 (0.42) ALDH1A1KDM4EGAAHTR2ASLC6A2
SCHEMBL5435016 0.78 ALDH1A1 (0.48) ATMALDH1A1KDM4EGAALMNA
SCHEMBL2693816 0.77 ALDH1A1 (0.43) ATMALDH1A1KDM4EGAAHTR1A
SCHEMBL13310578 0.75 ADRB2 (0.41) ALDH1A1KDM4EGAAHTR1AHTT
SCHEMBL388943 0.75 ALDH1A1 (0.33) TAAR1ALDH1A1KDM4EGAALMNA
SCHEMBL9251988 0.75 ALDH1A1 (0.46) ATMALDH1A1KDM4EGAATSHR
SCHEMBL3055366 0.75 TAAR1 (0.54) TAAR1ALDH1A1HTR2AHTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170129876-A1 UREA DERIVATIVES AND USES THEREOF KALA BIO, Inc. 2017-05-11 US disclosed
US-20170129876-A1 UREA DERIVATIVES AND USES THEREOF KALA BIO, Inc. 2017-05-11 US 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 4519/4885ATM 3588/4885ALDH1A1 2914/4885
US-20170129876-A1 UREA DERIVATIVES AND USES THEREOF UACA, RB1, FLT1 TAAR1 2846/4885ATM 2140/4885ALDH1A1 1432/4885

“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.