SCHEMBL3056908

SCHEMBL3056908

CN(C)CCc1cccc(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 1.00
AOC3 Q16853 1/20 0.73
SIGMAR1 Q99720 1/20 0.56
HTR7 P34969 4/20 0.54
PNMT P11086 2/20 0.50
HTR1A P08908 1/20 0.50
ACHE P22303 1/20 0.49
PYCR1 P32322 1/20 0.49
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 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 SCHEMBL8507687 0.98 TAAR1 (0.96) TAAR1AOC3SIGMAR1HTR7PNMT
SCHEMBL11300491 0.89 TAAR1 (0.79) TAAR1AOC3SIGMAR1PNMTPYCR1
SCHEMBL25833522 0.83 TAAR1 (0.71) TAAR1AOC3SIGMAR1PNMTPYCR1
SCHEMBL12050856 0.80 TAAR1 (0.74) TAAR1AOC3PNMTHTR3EHTR3B
SCHEMBL25221995 0.80 TAAR1 (0.67) TAAR1AOC3SIGMAR1HTR7HTR1A
SCHEMBL30481309 0.80 TAAR1 (0.67) TAAR1AOC3SIGMAR1HTR7HTR1A
SCHEMBL30798978 0.79 TAAR1 (0.66) TAAR1AOC3PNMTPYCR1
SCHEMBL8290710 0.79 TAAR1 (0.66) TAAR1AOC3PNMTPYCR1
SCHEMBL25833470 0.79 TAAR1 (0.65) TAAR1AOC3SIGMAR1PNMTPYCR1
SCHEMBL25852812 0.78 TAAR1 (0.63) TAAR1AOC3SIGMAR1PNMTACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4212531-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV Discovery (FR) 2023-07-19 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
CN-101939326-B Method for producing cycloplatinized platinum complexes, platinum complexes produced by said method, and the use thereof RWTH AACHEN UNIVERSITY 2013-06-05 CN 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
CN-101939326-A Method for producing cycloplatinized platinum complexes, platinum complexes produced by said method, and the use thereof RWTH AACHEN 2011-01-05 CN 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
US-4418065-A ANTIDEPRESSANTS ASTRA LAKEMEDEL AKTIEBOLAG (SE) 1983-11-29 US disclosed
WO-1981001407-A1 NOVEL HALOPHENYL-PYRIDYL-ALLYLAMINE DERIVATIVES ASTRA LAEKEMEDEL AB (SE) 1981-05-28 WO disclosed
EP-0029420-A1 Novel halophenyl-pyridyl-allylamine derivatives, processes and intermediates as well as pharmaceutical preparations thereof Astra Läkemedel Aktiebolag (SE) 1981-05-27 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-20120172347-A1 8-OXODIHYDROPURINE DERIVATIVE FAAH, FAAH2, TPMT TAAR1 674/4885AOC3 415/4885SIGMAR1 907/4885
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 929/4885SIGMAR1 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.