SCHEMBL3815862

SCHEMBL3815862

CC(=O)Cc1ccc2sccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.56
OPRM1 P35372 1/20 0.48
OPRK1 P41145 1/20 0.48
CTNNB1 P35222 3/20 0.45
WNT3A P56704 3/20 0.45
PTPRC P08575 1/20 0.43
PTPN6 P29350 1/20 0.43
PTPN11 Q06124 1/20 0.43
PTPN22 Q9Y2R2 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.41
PDE10A Q9Y233 1/20 0.39
CA12 O43570 2/20 0.39
CA2 P00918 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
HTR2C P28335 2/20 0.38
HTR2A P28223 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 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
SCHEMBL30211365 0.86 OPRM1 (0.48) CYP2A6OPRM1OPRK1CTNNB1WNT3A
SCHEMBL25569762 0.86 OPRM1 (0.48) CYP2A6OPRM1OPRK1CTNNB1WNT3A
SCHEMBL631209 0.84 CYP2A6 (0.58) CYP2A6OPRM1OPRK1CTNNB1WNT3A
SCHEMBL11098549 0.83 CYP2A6 (0.53) CYP2A6OPRM1OPRK1CTNNB1WNT3A
SCHEMBL25569772 0.83 CYP2A6 (0.53) CYP2A6OPRM1OPRK1CTNNB1WNT3A
SCHEMBL6398236 0.79 CYP2A6 (0.51) CYP2A6OPRM1OPRK1CTNNB1WNT3A
SCHEMBL2494708 0.79 CYP2A6 (0.56) CYP2A6OPRM1OPRK1CTNNB1WNT3A
SCHEMBL25569768 0.77 OPRM1 (0.53) CYP2A6OPRM1OPRK1CTNNB1WNT3A
SCHEMBL1774025 0.76 CYP2A6 (0.66) CYP2A6OPRM1OPRK1CTNNB1WNT3A
SCHEMBL26619319 0.75 CYP2A6 (0.54) CYP2A6CTNNB1WNT3AMRGPRX4SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12569466-B2 Short-acting psychoactive compounds of the MDMA class APOAPSIS HOLDINGS, LLC (US) 2026-03-10 US disclosed
US-20240197679-A1 NOVEL SHORT-ACTING PSYCHOACTIVE COMPOUNDS OF THE MDMA CLASS Altrartis Therapeutics Inc. 2024-06-20 US disclosed
EP-4370114-A2 NOVEL SHORT-ACTING PSYCHOACTIVE COMPOUNDS OF THE MDMA CLASS Mydecine Innovations Group Inc. (US) 2024-05-22 EP disclosed
US-11896577-B2 Short-acting psychoactive compounds of the MDMA class MYDECINE INNOVATIONS GROUP INC. (US) 2024-02-13 US disclosed
US-20230321034-A1 NOVEL SHORT-ACTING PSYCHOACTIVE COMPOUNDS OF THE MDMA CLASS Altrartis Therapeutics Inc. 2023-10-12 US disclosed
US-20230321034-A1 NOVEL SHORT-ACTING PSYCHOACTIVE COMPOUNDS OF THE MDMA CLASS Altrartis Therapeutics Inc. 2023-10-12 US disclosed
US-20230321034-A1 NOVEL SHORT-ACTING PSYCHOACTIVE COMPOUNDS OF THE MDMA CLASS Altrartis Therapeutics Inc. 2023-10-12 US disclosed
US-20230159487-A1 ADVANTAGEOUS BENZOTHIOPHENE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT TACTOGEN INC (US) 2023-05-25 US disclosed
US-20230159487-A1 ADVANTAGEOUS BENZOTHIOPHENE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT TACTOGEN INC (US) 2023-05-25 US disclosed
CN-116096715-A Beneficial benzothiophene compositions for mental disorders or enhancement 泰科根公司 2023-05-09 CN disclosed
WO-2023288013-A2 NOVEL SHORT-ACTING PSYCHOACTIVE COMPOUNDS OF THE MDMA CLASS MYDECINE INNOVATIONS GROUP INC. (US) 2023-01-19 WO disclosed
WO-2023288013-A2 NOVEL SHORT-ACTING PSYCHOACTIVE COMPOUNDS OF THE MDMA CLASS MYDECINE INNOVATIONS GROUP INC. (US) 2023-01-19 WO disclosed
EP-1186594-B1 N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME TOYAMA CHEMICAL CO LTD (JP) 2009-08-05 EP disclosed
US-6797726-B1 N-alkoxyalkyl-N,N-dialkylamine derivatives or salts thereof, and remedies for nerve degeneration diseases containing the same TOYAMA CHEMICAL CO., LTD. (JP) 2004-09-28 US disclosed
EP-1186594-A1 N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 2002-03-13 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 (5 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-20240197679-A1 NOVEL SHORT-ACTING PSYCHOACTIVE COMPOUNDS OF THE MDMA CLASS PNMT, HTR2C, SLC18A2 CYP2A6 218/4885OPRM1 22/4885OPRK1 47/4885
US-20230159487-A1 ADVANTAGEOUS BENZOTHIOPHENE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT SLC6A3, CREBBP, SLC1A2 CYP2A6 1879/4885OPRM1 1733/4885OPRK1 1113/4885
US-20230321034-A1 NOVEL SHORT-ACTING PSYCHOACTIVE COMPOUNDS OF THE MDMA CLASS PNMT, HTR2C, SLC18A2 CYP2A6 218/4885OPRM1 22/4885OPRK1 47/4885
US-11896577-B2 Short-acting psychoactive compounds of the MDMA class PNMT, HTR2C, SLC18A2 CYP2A6 160/4885OPRM1 21/4885OPRK1 51/4885
US-12569466-B2 Short-acting psychoactive compounds of the MDMA class HTR2C, SLC6A2, DRD2 CYP2A6 284/4885OPRM1 8/4885OPRK1 37/4885

“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.