SCHEMBL5908036

SCHEMBL5908036

COc1cc2c(cc1O)C(CCc1ccc(Cl)cc1)N(C)CC2

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.98
TSHR P16473 1/20 0.98
MAPK1 P28482 1/20 0.98
NR1I2 O75469 1/20 0.83
MAOA P21397 1/20 0.83
PTGS2 P35354 1/20 0.83
OPRK1 P41145 1/20 0.83
SLC6A3 Q01959 1/20 0.83
DRD2 P14416 1/20 0.66
DRD1 P21728 1/20 0.66
BCHE P06276 1/20 0.60
ACHE P22303 1/20 0.60
DHCR7 Q9UBM7 1/20 0.59
KCNH2 Q12809 2/20 0.57
GRIN2D O15399 4/20 0.57
GRIN3B O60391 4/20 0.57
GRIN1 Q05586 4/20 0.57
GRIN2A Q12879 4/20 0.57
GRIN2B Q13224 4/20 0.57
GRIN2C Q14957 4/20 0.57

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
SCHEMBL29651290 1.00 TP53 (0.98) TP53TSHRMAPK1NR1I2MAOA
Hydrochloric Acid SCHEMBL2000082 0.99 TP53 (1.00) TP53TSHRMAPK1NR1I2MAOA
Methopholine SCHEMBL26169 0.91 NR1I2 (1.00) TP53TSHRMAPK1NR1I2MAOA
Methopholine SCHEMBL30492235 0.91 NR1I2 (1.00) TP53TSHRMAPK1NR1I2MAOA
SCHEMBL20683170 0.89 DRD2 (0.79) TP53TSHRMAPK1NR1I2MAOA
SCHEMBL8200503 0.89 TP53 (0.78) TP53TSHRMAPK1NR1I2MAOA
SCHEMBL30163297 0.83 TP53 (0.70) TP53TSHRMAPK1NR1I2MAOA
SCHEMBL29373104 0.81 DRD2 (0.89) TP53TSHRMAPK1DRD2DRD1
SCHEMBL8203917 0.81 NR1I2 (0.80) TP53TSHRMAPK1NR1I2MAOA
(S)-Reticuline SCHEMBL147597 0.80 DRD2 (1.00) MAPK1DRD2DRD1BCHEACHE

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
US-5952344-A TREATING AND CONTROL OF DISEASES WHICH REPRESENT THERAPEUTIC INDICATIONS FOR NMDA(N-METHYL-D-ASPERTATE) RECEPTOR SUBTYPE SPECIFIC BLOKERS BY ADMINISTERING TETRAHYDROISOQUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 1999-09-14 US claimed
EP-0787493-A1 Tetrahydroisoquinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 1997-08-06 EP claimed
US-12357635-B2 Nanocarriers and their processing for diagnostics and therapeutics RHODE ISLAND HOSPITAL (US) 2025-07-15 US disclosed
US-20240156853-A1 IN VITRO AND IN VIVO INTRACELLULAR DELIVERY OF SIRNA VIA SELF-ASSEMBLED NANOPIECES RHODE ISLAND HOSPITAL 2024-05-16 US disclosed
US-11701379-B2 In vitro and in vivo intracellular delivery of siRNA via self-assembled nanopieces RHODE ISLAND HOSPITAL (US) 2023-07-18 US disclosed
US-20210023117-A1 IN VITRO AND IN VIVO INTRACELLULAR DELIVERY OF SIRNA VIA SELF-ASSEMBLED NANOPIECES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-01-28 US disclosed
US-20200375991-A1 NANOCARRIERS AND THEIR PROCESSING FOR DIAGNOSTICS AND THERAPEUTICS RHODE ISLAND HOSPITAL 2020-12-03 US disclosed
US-10555948-B2 Nanocarriers and their processing for diagnostics and therapeutics RHODE ISLAND HOSPITAL (US) 2020-02-11 US disclosed
WO-2019191151-A1 IN VITRO AND IN VIVO INTRACELLULAR DELIVERY OF SIRNA VIA SELF-ASSEMBLED NANOPIECES RHODE ISLAND HOSPTIAL (US) 2019-10-03 WO disclosed
US-20180193344-A1 Nanocarriers And Their Processing For Diagnostics And Therapeutics RHODE ISLAND HOSPITAL 2018-07-12 US disclosed
US-9775842-B2 Nanocarriers and their processing for diagnostics and therapeutics RHODE ISLAND HOSPITAL (US) 2017-10-03 US disclosed
US-20120208848-A1 GACYCLIDINE FORMULATIONS NEUROSYSTEC CORPORATION (US) 2012-08-16 US disclosed
US-20120171121-A1 Rosette Nanotubes as Drug Delivery Agents BROWN UNIVERSITY (US) 2012-07-05 US disclosed
WO-2011076946-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ALZHEIMER Universidad Del País Vasco (ES) 2011-06-30 WO disclosed
EP-2338492-A1 Methods and compositions for the treatment of alzheimer Universidad del Pais Vasco (ES) 2011-06-29 EP disclosed
US-20060264897-A1 Apparatus and method for delivering therapeutic and/or other agents to the inner ear and to other tissues NEUROSYSTEC CORPORATION (US) 2006-11-23 US disclosed
US-20060205789-A1 Gacyclidine formulations NEUROSYSTEC CORPORATION (US) 2006-09-14 US disclosed
US-6071929-A SELECTIVE BLOCKERS OF N-METHYL-D-ASPARTIC ACID FOR TEATMENT OF NERVOUS SYSTEM AND BRAIN DISORDERS OR INJURIES HOFFMAN-LA ROCHE INC. (US) 2000-06-06 US disclosed
US-5952344-A TREATING AND CONTROL OF DISEASES WHICH REPRESENT THERAPEUTIC INDICATIONS FOR NMDA(N-METHYL-D-ASPERTATE) RECEPTOR SUBTYPE SPECIFIC BLOKERS BY ADMINISTERING TETRAHYDROISOQUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 1999-09-14 US disclosed
EP-0787493-A1 Tetrahydroisoquinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 1997-08-06 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 (10 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-20120171121-A1 Rosette Nanotubes as Drug Delivery Agents EPHA2, CD44, HDGF TP53 155/4885TSHR 2096/4885MAPK1 3450/4885
US-12357635-B2 Nanocarriers and their processing for diagnostics and therapeutics SYVN1, SSB, TNF TP53 150/4885TSHR 2826/4885MAPK1 4133/4885
US-20180193344-A1 Nanocarriers And Their Processing For Diagnostics And Therapeutics SYVN1, SSB, TNF TP53 150/4885TSHR 2826/4885MAPK1 4133/4885
US-11701379-B2 In vitro and in vivo intracellular delivery of siRNA via self-assembled nanopieces NFATC1, TRAF6, UACA TP53 277/4885TSHR 2583/4885MAPK1 2376/4885
US-20210023117-A1 IN VITRO AND IN VIVO INTRACELLULAR DELIVERY OF SIRNA VIA SELF-ASSEMBLED NANOPIECES NFATC1, TRAF6, UACA TP53 277/4885TSHR 2583/4885MAPK1 2376/4885
US-10555948-B2 Nanocarriers and their processing for diagnostics and therapeutics SYVN1, SSB, TNF TP53 150/4885TSHR 2826/4885MAPK1 4133/4885
US-20120208848-A1 GACYCLIDINE FORMULATIONS DCTD, TYMP, TYMS TP53 2310/4885TSHR 3429/4885MAPK1 2605/4885
US-20200375991-A1 NANOCARRIERS AND THEIR PROCESSING FOR DIAGNOSTICS AND THERAPEUTICS SYVN1, SSB, TNF TP53 150/4885TSHR 2826/4885MAPK1 4133/4885
US-20240156853-A1 IN VITRO AND IN VIVO INTRACELLULAR DELIVERY OF SIRNA VIA SELF-ASSEMBLED NANOPIECES NFATC1, TRAF6, UACA TP53 277/4885TSHR 2583/4885MAPK1 2376/4885
US-20060205789-A1 Gacyclidine formulations DCTD, TYMP, TYMS TP53 2310/4885TSHR 3429/4885MAPK1 2605/4885

“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.