SCHEMBL3052863

SCHEMBL3052863

CN(C)CCc1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 1.00
AOC3 Q16853 1/20 0.69
HRH3 Q9Y5N1 4/20 0.67
SIGMAR1 Q99720 1/20 0.51
MCHR1 Q99705 1/20 0.49
CYP2D6 P10635 1/20 0.47
CHRM1 P11229 1/20 0.47
HTR2A P28223 1/20 0.47
HRH1 P35367 1/20 0.47

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 SCHEMBL3820258 0.98 TAAR1 (0.95) TAAR1AOC3HRH3SIGMAR1MCHR1
SCHEMBL18762839 0.87 HRH3 (0.84) TAAR1AOC3HRH3SIGMAR1
SCHEMBL10677993 0.86 TAAR1 (0.76) TAAR1AOC3HRH3SIGMAR1
SCHEMBL11134095 0.85 TAAR1 (0.73) TAAR1AOC3HRH3SIGMAR1
SCHEMBL14790515 0.79 TAAR1 (0.64) TAAR1AOC3HRH3SIGMAR1MCHR1
SCHEMBL22882402 0.79 TAAR1 (0.64) TAAR1AOC3HRH3SIGMAR1MCHR1
SCHEMBL3046909 0.78 HRH3 (0.70) TAAR1HRH3
SCHEMBL1975214 0.78 HRH3 (0.70) TAAR1HRH3MCHR1
SCHEMBL3059072 0.78 HRH3 (0.70) TAAR1AOC3HRH3
SCHEMBL3057063 0.78 HRH3 (0.70) TAAR1AOC3HRH3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2476682-B1 8-OXODIHYDROPURINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2017-04-26 EP disclosed
US-8735406-B2 8-oxodihydropurine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-05-27 US disclosed
US-8735406-B2 8-oxodihydropurine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-05-27 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-20120172347-A1 8-OXODIHYDROPURINE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-05 US disclosed
US-20120172347-A1 8-OXODIHYDROPURINE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-05 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-1453836-B1 BICYCLIC [1,2,4] -TRIAZOLE ADENOSINE A2a RECEPTOR ANTAGONISTS SCHERING CORP (US) 2007-03-28 EP disclosed
WO-2005093515-A1 PHOTOSENSITIVE COMPOSITION, PHOTOSENSITIVE FILM, AND PERMANENT PATTERN AND PROCESS FOR FORMING THE SAME FUJI PHOTO FILM CO., LTD. (JP) 2005-10-06 WO disclosed
EP-1177175-A2 HETEROSUBSTITUTED PYRIDINE DERIVATIVES AS PDE 4 INHIBITORS MERCK FROSST CANADA INC. (CA) 2002-02-06 EP disclosed
WO-2000068198-A2 HETEROSUBSTITUTED PYRIDINE DERIVATIVES AS PDE 4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2000-11-16 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 (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-20120172347-A1 8-OXODIHYDROPURINE DERIVATIVE FAAH, FAAH2, TPMT TAAR1 674/4885AOC3 415/4885HRH3 460/4885
US-20100267977-A1 METHOD FOR PRODUCING CYCLOPLATINIZED PLATINUM COMPLEXES, PLATINUM COMPLEXES PRODUCED BY SAID METHOD, AND THE USE THEREOF THPO, MCL1, PPOX TAAR1 4519/4885AOC3 929/4885HRH3 3145/4885

“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.