SCHEMBL6917418

SCHEMBL6917418

Cc1ccc2c(c1)OC=CC2

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.31
CYP2A6 P11509 2/20 0.31
METAP1 P53582 2/20 0.31
ACHE P22303 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PARP1 P09874 1/20 0.30
PARP10 Q53GL7 1/20 0.30

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
SCHEMBL12043390 0.84 ALDH1A1 (0.34) CYP1A2CYP2A6METAP1ALDH1A1GAA
SCHEMBL276962 0.78
SCHEMBL10426767 0.76 MAPT (0.40) ALDH1A1GAAMAPT
SCHEMBL5644783 0.76 CA1 (0.31) ACHEPARP1PARP10
SCHEMBL547264 0.76 ESR2 (0.46) ALDH1A1MAPTHSD17B10
SCHEMBL5537608 0.76
SCHEMBL2011445 0.76
SCHEMBL13911575 0.76 ALDH1A1 (0.34) ALDH1A1GAAMAPTHSD17B10
SCHEMBL2722706 0.72 PNMT (0.39) CYP2A6
SCHEMBL2003995 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3582783-B1 7-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA INC (US) 2023-06-07 EP disclosed
EP-4086249-A2 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME Trevena, Inc. (US) 2022-11-09 EP disclosed
US-20170210725-A1 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC. 2017-07-27 US disclosed
WO-2017040545-A1 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC. (US) 2017-03-09 WO disclosed
US-8283368-B2 Selective ligands for the dopamine 3 (D3) receptor and methods of using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-09 US disclosed
US-8283368-B2 Selective ligands for the dopamine 3 (D3) receptor and methods of using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-09 US disclosed
US-20110319362-A1 STAT3 LIGANDS AND THERAPEUTIC USES THEREOF WANG SHAOMENG (US) 2011-12-29 US disclosed
US-20110319362-A1 STAT3 LIGANDS AND THERAPEUTIC USES THEREOF WANG SHAOMENG (US) 2011-12-29 US disclosed
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-28 US disclosed
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-28 US disclosed
WO-2010077589-A2 STAT3 INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN OFFICE OF TECHNOLOGY TRANSFER (US) 2010-07-08 WO disclosed
WO-2010025235-A1 SELECTIVE LIGANDS FOR THE DOPAMINE 3 (D3) RECEPTOR AND METHODS OF USING THE SAME REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-03-04 WO disclosed
US-20040122001-A1 Pharmaceutical compounds ELI LILLY AND COMPANY 2004-06-24 US disclosed
EP-1345930-A2 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2003-09-24 EP disclosed
WO-2002050067-A2 PHARMACEUTICAL HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 2002-06-27 WO disclosed
EP-0230941-B1 PHOTOPOLYMERISABLE COMPOSITION AND PHOTOPOLYMERISABLE REGISTRATION MATERIAL CONTAINING IT HOECHST AKTIENGESELLSCHAFT (DE) 1992-09-09 EP disclosed
EP-0363776-A2 Light-sensitive composition and light-sensitive copy material produced therewith HOECHST AKTIENGESELLSCHAFT (DE) 1990-04-18 EP disclosed
US-4780393-A POLYMERIC BINDER, TERMINAL ETHYLENIC COMPOUND, PHOTOINITIATOR, LEVCO BASE OF TRIARYLMETHANE DYE AND PHOTOC ROMIC SPIRO-INDOLINO-BENZOPYRAN COMPOUND HOECHST AKTIENGESELLSCHAFT (DE) 1988-10-25 US disclosed
EP-0230941-A2 Photopolymerisable composition and photopolymerisable registration material containing it HOECHST AKTIENGESELLSCHAFT (DE) 1987-08-05 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 (4 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-20170210725-A1 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME OPRD1, OPRM1, OPRK1 CYP1A2 686/4885CYP2A6 384/4885METAP1 2886/4885
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same DRD3, HTR3C, HTR3A CYP1A2 1924/4885CYP2A6 1059/4885METAP1 1555/4885
US-20040122001-A1 Pharmaceutical compounds CYP2D6, LPXN, CYP1B1 CYP1A2 48/4885CYP2A6 39/4885METAP1 1627/4885
US-20110319362-A1 STAT3 LIGANDS AND THERAPEUTIC USES THEREOF STAT3, JAK2, STAT6 CYP1A2 4602/4885CYP2A6 3967/4885METAP1 1095/4885

“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.