SCHEMBL1030801

SCHEMBL1030801

O=S(=O)(O)c1ccc2ccccc2c1.O=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12

nearest known ligand 0.51

Known targets — ChEMBL curated mechanism

OPRM1

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.51
CYP2C9 P11712 3/20 0.51
CYP1A2 P05177 3/20 0.51
CYP2C19 P33261 2/20 0.51
HSD17B10 Q99714 2/20 0.51
HIF1A Q16665 2/20 0.51
TSHR P16473 2/20 0.51
PTPRA P18433 1/20 0.51
PTPRB P23467 1/20 0.51
RAPGEF4 Q8WZA2 1/20 0.51
ALDH1A1 P00352 3/20 0.50
CASP6 P55212 3/20 0.50
TTR P02766 1/20 0.50
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
MEN1 O00255 1/20 0.49
THRB P10828 1/20 0.49
LMNA P02545 1/20 0.49
CTRB1 P17538 1/20 0.46
MAPK1 P28482 3/20 0.45

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
SCHEMBL31401976 0.95 CYP1A2 (0.53) SNCACYP2C9CYP1A2CYP2C19HSD17B10
SCHEMBL1902549 0.95 CYP1A2 (0.53) SNCACYP2C9CYP1A2CYP2C19HSD17B10
SCHEMBL2899556 0.87 HSD17B10 (0.50) SNCACYP2C9CYP1A2CYP2C19HSD17B10
SCHEMBL2899953 0.87 HSD17B10 (0.50) SNCACYP2C9CYP1A2CYP2C19HSD17B10
SCHEMBL31255683 0.86 CASP6 (0.58) SNCACYP2C9CYP1A2CYP2C19HSD17B10
SCHEMBL429785 0.86 CASP6 (0.58) SNCACYP2C9CYP1A2CYP2C19HSD17B10
SCHEMBL304050 0.86 SNCA (0.65) SNCACYP2C9CYP2C19HSD17B10TSHR
SCHEMBL29857297 0.86 SNCA (0.65) SNCACYP2C9CYP2C19HSD17B10TSHR
SCHEMBL1556 0.86 SNCA (0.65) SNCACYP2C9CYP2C19HSD17B10TSHR
SCHEMBL29357423 0.86 SNCA (0.65) SNCACYP2C9CYP2C19HSD17B10TSHR

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313037-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING ZOLMITRIPTAN MapLight Therapeutics, Inc. (US) 2024-02-07 EP disclosed
EP-3698791-B1 INTRANASAL COMPOSITION COMPRISING BETAHISTINE OTOLANUM AG (CH) 2023-10-25 EP disclosed
WO-2023180345-A1 TRICYCLIC PHTHALAZINES AND DERIVATIVES AS SOS1 INHIBITORS JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2023-09-28 WO disclosed
WO-2023135260-A1 NOVEL AMINE-SUBSTITUTED PHTHALAZINES AND DERIVATIVES AS SOS1 INHIBITORS JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2023-07-20 WO disclosed
EP-4196090-A1 PHARMACEUTICAL COMPOSITION CONTAINING NEUROACTIVE STEROID AND USE THEREOF Brii Biosciences, Inc. (US) 2023-06-21 EP disclosed
WO-2023056102-A1 NOVEL PRODRUGS OF MDMA, MDA, AND DERIVATIVES THEREOF ATAI Life Sciences AG (DE) 2023-04-06 WO disclosed
WO-2022204399-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING ZOLMITRIPTAN MAPLIGHT THERAPEUTICS, INC. (US) 2022-09-29 WO disclosed
WO-2022040216-A1 PHARMACEUTICAL COMPOSITION CONTAINING NEUROACTIVE STEROID AND USE THEREOF BRII BIOSCIENCES, INC. (US) 2022-02-24 WO disclosed
WO-2021025985-A1 METHODS OF TREATING SUBSTANCE ABUSE DISORDER, DYSPNEA, TINNITUS, AND CHILD AND ADOLESCENT DEPRESSION PRAXIS PRECISION MEDICINES, INC. (US) 2021-02-11 WO disclosed
EP-3698791-A1 INTRANASAL COMPOSITION COMPRISING BETAHISTINE Otolanum AG (CH) 2020-08-26 EP disclosed
WO-2013060881-A1 PYRIDOPYRIMIDINES AND THEIR THERAPEUTIC USE VERENIGING VOOR CHRISTELIJK HOGER ONDERWIJS, WETENSCHAPPELIJK ONDERZOEK EN PATIENTENZORG (NL) 2013-05-02 WO disclosed
EP-2270002-A1 Quinazoline derivatives as histamine H4-receptor inhibitors for use in the treatment of inflammatory disorders Vereniging voor Christelijk Hoger Onderwijs, Wetenschappelijk Onderzoek en Patiëntenzorg (NL) 2011-01-05 EP disclosed
WO-2010146173-A1 QUINAZOLINE DERIVATIVES AS HISTAMINE H4-RECEPT0R INHIBITORS FOR USE IN THE TREATMENT OF INFLAMMATORY DISORDERS VERENIGING VOOR CHRISTELIJK HOGER ONDERWIJS, WETENSCHAPPELIJK ONDERZOEK EN PATIENTENZORG (NL) 2010-12-23 WO disclosed
US-20100298322-A1 Quinazolines and Related Heterocyclic Compounds, and Their Therapeutic Use VERENIGING VOOR CHRISTELIJK, WETENSCHAPPELIJK ONDERZOEK EN PATIENTENZORG (NL) 2010-11-25 US disclosed
EP-2238119-A1 QUINAZOLINES AND RELATED HETEROCYCLIC COMPOUNDS, AND THEIR THERAPEUTIC USE Vereniging voor Christelijk Hoger Onderwijs, Wetenschappelijk Onderzoek en Patiëntenzorg (NL) 2010-10-13 EP disclosed
US-20100016293-A1 Quinazolines and Related Heterocyclic Compounds, and Their Therapeutic Use VERENIGING VOOR CHRISTELIJK, WETENSCHAPPELIJK ONDERZOEK EN PATIENTENZORG (NL) 2010-01-21 US disclosed
WO-2009083608-A1 QUINAZOLINES AND RELATED HETEROCYCLIC COMPOUNDS, AND THEIR THERAPEUTIC USE VERENIGING VOOR CHRISTELIJK HOGER ONDERWIJS, WETENSCHAPPELIJK ONDERZOEK EN PATIENTENZORG (NL) 2009-07-09 WO disclosed
EP-2077263-A1 Quinazolines and related heterocyclic compounds and their therapeutic use Vereniging voor christelijk hoger onderwijs, wetenschappelijk onderzoek en patiëntenzorg (NL) 2009-07-08 EP disclosed
EP-2044027-A2 FUSED BICYCLIC COMPOUNDS INTERACTING WITH THE HISTAMINE H4 RECEPTOR Vereniging voor christelijk hoger onderwijs, wetenschappelijk onderzoek en patiëntenzorg (NL) 2009-04-08 EP disclosed
WO-2008003702-A2 FUSED BICYCLIC COMPOUNDS INTERACTING WITH THE HISTAMINE H4 RECEPTOR VERENIGING VOOR CHRISTELIJK HOGER ONDERWIJS, WETENSCHAPPELIJK ONDERZOEK EN PATIENTENZORG (NL) 2008-01-10 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-20100298322-A1 Quinazolines and Related Heterocyclic Compounds, and Their Therapeutic Use RXFP3, RXFP1, NR1I3 SNCA 2879/4885CYP2C9 143/4885CYP1A2 373/4885
US-20100016293-A1 Quinazolines and Related Heterocyclic Compounds, and Their Therapeutic Use HRH4, HRH3, HRH2 SNCA 3677/4885CYP2C9 635/4885CYP1A2 560/4885

“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.