Theracys

Theracys

SCHEMBL328884

CN1C2CCC1[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.80
SLC6A2 P23975 2/20 0.80
SLC6A4 P31645 2/20 0.80
SLC6A3 Q01959 2/20 0.80
MAPT P10636 1/20 0.80
MAOA P21397 1/20 0.80
SCN1A P35498 1/20 0.80
SCN2A Q99250 1/20 0.80
SIGMAR1 Q99720 1/20 0.80
SCN3A Q9NY46 1/20 0.80

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
Theracys SCHEMBL18648964 1.00 KCNH2 (0.80) KCNH2SLC6A2SLC6A4SLC6A3MAPT
Theracys SCHEMBL367470 1.00 KCNH2 (0.80) KCNH2SLC6A2SLC6A4SLC6A3MAPT
Theracys SCHEMBL116803 1.00 KCNH2 (0.80) KCNH2SLC6A2SLC6A4SLC6A3MAPT
Theracys SCHEMBL13196454 1.00 KCNH2 (0.80) KCNH2SLC6A2SLC6A4SLC6A3MAPT
Theracys SCHEMBL16922152 1.00 KCNH2 (0.80) KCNH2SLC6A2SLC6A4SLC6A3MAPT
Theracys SCHEMBL328885 1.00 KCNH2 (0.80) KCNH2SLC6A2SLC6A4SLC6A3MAPT
Theracys SCHEMBL11415956 0.99 KCNH2 (0.78) KCNH2SLC6A2SLC6A4SLC6A3MAPT
Theracys SCHEMBL6716416 0.99 SLC6A2 (0.80) KCNH2SLC6A2SLC6A4SLC6A3MAPT
Theracys SCHEMBL8958743 0.94 KCNH2 (0.72) KCNH2SLC6A2SLC6A4SLC6A3MAPT
Cocaine SCHEMBL8050369 0.93 KCNH2 (0.93) KCNH2SLC6A2SLC6A4SLC6A3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118225543-A Method suitable for rapid enrichment of 34 kinds of psychotropic drugs in large-volume sewage 宁波市疾病预防控制中心(宁波市健康教育与促进中心) 2024-06-21 CN disclosed
US-10690651-B2 Small molecule metabolites for the diagnosis of bacterial vaginosis and assessment of disease risk FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2020-06-23 US disclosed
US-20120100171-A1 HAPTEN-CARRIER CONJUGATES WITH BACTERIAL TOXINS HAVING A SIGNAL PEPTIDE AS CARRIER AND THEIR USE IN IMMUNOGENIC COMPOSITIONS HENRY WILLIAM (GB) 2012-04-26 US disclosed
EP-2405943-A2 HAPTEN-CARRIER CONJUGATES WITH BACTERIAL TOXINS HAVING A SIGNAL PEPTIDE AS CARRIER AND THEIR USE IN IMMUNOGENIC COMPOSITIONS Henry, William (GB) 2012-01-18 EP disclosed
WO-2011000889-A1 TOPICAL VACCINE FORMULATIONS AND METHODS OF TREATING DRUG ADDICTION USING SAME HENRY WILLIAM (GB) 2011-01-06 WO disclosed
WO-2010103017-A2 HAPTEN-CARRIER CONJUGATES WITH BACTERIAL TOXINS HAVING A SIGNAL PEPTIDE AS CARRIER AND THEIR USE IN IMMUNOGENIC COMPOSITIONS HENRY WILLIAM (GB) 2010-09-16 WO disclosed
US-20100209449-A1 HAPTEN-CARRIER CONJUGATES FOR USE IN DRUG-ABUSE THERAPY AND METHODS FOR PREPARATION OF SAME SWAIN PHILIP A 2010-08-19 US disclosed
US-20100105672-A1 Hapten-carrier conjugates for use in drug-abuse therapy and methods for preparation of same SWAIN PHILIP A 2010-04-29 US disclosed
US-20100068222-A1 Hapten-carrier conjugates for use in drug abuse therapy and methods for preparation of same SWAIN PHILIP A 2010-03-18 US disclosed
US-20060286097-A1 Hapten-carrier conjugates for use in drug-abuse therapy and methods for preparation of same XENOVA RESEARCH LTD. 2006-12-21 US disclosed
US-20060286096-A1 Hapten-carrier conjugates for use in drug-abuse therapy and methods for preparation of same XENOVA RESEARCH LTD. 2006-12-21 US disclosed
US-20060286094-A1 Hapten-carrier conjugates for use in drug-abuse therapy and methods for preparation of same XENOVA RESEARCH LTD. 2006-12-21 US disclosed
US-20060286098-A1 Hapten-carrier conjugates for use in drug-abuse therapy and methods for preparation of same XENOVA RESEARCH LTD. 2006-12-21 US disclosed
US-20060280735-A1 Hapten-carrier conjugates for use in drug-abuse therapy and methods for preparation of same XENOVA RESEARCH LTD. 2006-12-14 US disclosed
US-20060280736-A1 Hapten-carrier conjugates for use in drug-abuse therapy and methods for preparation of same XENOVA RESEARCH LTD. 2006-12-14 US disclosed
US-20060239997-A1 Hapten-carrier conjugates for use in drug-abuse therapy and methods for preparation of same XENOVA RESEARCH LTD. 2006-10-26 US disclosed
US-20060058220-A1 Hapten-carrier conjugates for use in drug-abuse therapy and methods for preparation of same XENOVA RESEARCH LIMITED 2006-03-16 US disclosed
US-20030069400-A1 Hapten-carrier conjugates for use in drug-abuse therapy and methods for preparation of same XENOVA RESEARCH LIMITED 2003-04-10 US disclosed
US-20020032316-A1 Hapten-carrier conjugates for use in drug-abuse therapy and methods for preparation of same CANTAB PHARMACEUTICALS RESEARCH LIMITED 2002-03-14 US disclosed
US-6054127-A A THERAPEUTIC TREATMENT FOR COCAINE ADDICTION; THE CONJUGATE CAPABLE OF STIMULATING THE PRODUCTION OF ANTI-HAPTEN ANTIBODIES; A THERAPEUTIC IMMUNIZATION REGIMEN ELICITS ANTI-DRUG ANTIBODIES IMMULOGIC PHARMACEUTICAL CORPORATION (US) 2000-04-25 US 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 (6 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-20120100171-A1 HAPTEN-CARRIER CONJUGATES WITH BACTERIAL TOXINS HAVING A SIGNAL PEPTIDE AS CARRIER AND THEIR USE IN IMMUNOGENIC COMPOSITIONS ANTXR2, CD47, TLR5 KCNH2 3992/4885SLC6A2 2672/4885SLC6A4 3610/4885
US-20100209449-A1 HAPTEN-CARRIER CONJUGATES FOR USE IN DRUG-ABUSE THERAPY AND METHODS FOR PREPARATION OF SAME CES2, CD44, CD47 KCNH2 3653/4885SLC6A2 91/4885SLC6A4 510/4885
US-20100105672-A1 Hapten-carrier conjugates for use in drug-abuse therapy and methods for preparation of same CES2, CD44, CD47 KCNH2 3653/4885SLC6A2 91/4885SLC6A4 510/4885
US-20060280736-A1 Hapten-carrier conjugates for use in drug-abuse therapy and methods for preparation of same CES2, CD44, CD47 KCNH2 3653/4885SLC6A2 91/4885SLC6A4 510/4885
US-20060239997-A1 Hapten-carrier conjugates for use in drug-abuse therapy and methods for preparation of same CES2, CD44, CD47 KCNH2 3653/4885SLC6A2 91/4885SLC6A4 510/4885
US-20100068222-A1 Hapten-carrier conjugates for use in drug abuse therapy and methods for preparation of same CES2, CD47, CD44 KCNH2 3297/4885SLC6A2 107/4885SLC6A4 613/4885

“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.