SCHEMBL2903629

SCHEMBL2903629

CNCCc1ccccc1I

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.59
HTR2A P28223 3/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HTR1A P08908 1/20 0.50
HTT P42858 1/20 0.50
ATM Q13315 1/20 0.50
HRH3 Q9Y5N1 1/20 0.42
IDO1 P14902 2/20 0.42
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
SLC6A2 P23975 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL31282061 0.80 L3MBTL1 (0.44) TAAR1L3MBTL1SIGMAR1
SCHEMBL27997934 0.78 TAAR1 (0.71) TAAR1HTR2AALDH1A1IDO1ALOX15
SCHEMBL11155402 0.78 TAAR1 (0.48) TAAR1HTR2AIDO1SLC6A2SIGMAR1
SCHEMBL11274247 0.78 TAAR1 (0.48) TAAR1HTR2AIDO1SLC6A2SIGMAR1
SCHEMBL4058523 0.77 TAAR1 (0.46) TAAR1HTR2AALDH1A1KDM4EIDO1
SCHEMBL3053777 0.76 TAAR1 (0.61) TAAR1HTR2AALDH1A1KDM4EHTR1A
SCHEMBL3057770 0.76 TAAR1 (0.61) TAAR1HTR2AALDH1A1KDM4EHTR1A
SCHEMBL3062235 0.76 TAAR1 (0.61) TAAR1HTR2AALDH1A1KDM4EHTR1A
SCHEMBL7333052 0.75 TAAR1 (0.50) TAAR1HTR2AALDH1A1KDM4EHTT
SCHEMBL27481537 0.75 L3MBTL1 (0.53) TAAR1HTR2AALDH1A1HTR1AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023240267-A2 COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SIONNA THERAPEUTICS (US) 2023-12-14 WO 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
US-20090069370-A1 AZACYCLYLISOQUINOLINONE AND ISOINDOLINONE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-03-12 US disclosed
US-4360511-A Amines useful as brain imaging agents MEDI-PHYSICS, INC. (US) 1982-11-23 US disclosed
EP-0011858-A1 Radioiodine containing amines, their preparation and their use as brain imaging agents F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1980-06-11 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 (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 4519/4885HTR2A 4718/4885ALDH1A1 2914/4885
US-20090069370-A1 AZACYCLYLISOQUINOLINONE AND ISOINDOLINONE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH1, HRH2 TAAR1 73/4885HTR2A 43/4885ALDH1A1 1280/4885

“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.