SCHEMBL6419834

SCHEMBL6419834

CC(C(=O)O)N1CCC(N)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.34
SLC6A9 P48067 2/20 0.34
CPB2 Q96IY4 1/20 0.33
KDM1A O60341 1/20 0.33
CACNA1B Q00975 2/20 0.33
ACE P12821 1/20 0.33
KCNH2 Q12809 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
CYP2D6 P10635 1/20 0.33
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL27567759 0.85 GNAI3 (0.36) GNAI3GNAO1GNAI1KDM4EALDH1A1
SCHEMBL18980322 0.81 KDM4E (0.36) ITGB3ITGA2BKDM4EALDH1A1SLC6A9
SCHEMBL5132272 0.81 ALDH1A1 (0.47) KDM4EALDH1A1SLC6A9HRH3MEN1
SCHEMBL7744888 0.79 SLC6A9 (0.40) KDM4EALDH1A1SLC6A9KCNH2HRH3
SCHEMBL14100030 0.79 SLC6A9 (0.40) KDM4EALDH1A1SLC6A9KCNH2HRH3
SCHEMBL24220960 0.79 SLC6A9 (0.40) KDM4EALDH1A1SLC6A9KCNH2HRH3
SCHEMBL29299508 0.79 SLC6A9 (0.40) KDM4EALDH1A1SLC6A9KCNH2HRH3
SCHEMBL13223389 0.79 SLC6A9 (0.40) KDM4EALDH1A1SLC6A9KCNH2HRH3
SCHEMBL1133814 0.79
SCHEMBL3967181 0.79 SLC6A9 (0.40) KDM4EALDH1A1SLC6A9KCNH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1291346-B1 Process for the preparation of trisubstituted imidazole compounds with multiple therapeutic properties SMITHKLINE BEECHAM CORP (US) 2005-03-23 EP disclosed
EP-0708768-B1 TRI-SUBSTITUTED IMIDAZOLES HAVING MULTIPLE THERAPEUTIC PROPERTIES SMITHKLINE BEECHAM CORP (US) 2003-04-09 EP disclosed
EP-1291346-A1 Process for the preparation of trisubstituted imidazole compounds with multiple therapeutic properties SMITHKLINE BEECHAM CORPORATION (US) 2003-03-12 EP disclosed
US-20020188122-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION 2002-12-12 US disclosed
EP-1229035-A1 Imine intermediates for the preparation of trisubstituted imidazole compounds with multiple therapeutic properties SMITHKLINE BEECHAM CORPORATION (US) 2002-08-07 EP disclosed
EP-1227091-A2 Formamide intermediates for the preparation of tri-substituted imidazole compounds with multiple therapeutic properties SMITHKLINE BEECHAM CORPORATION (US) 2002-07-31 EP disclosed
EP-1227092-A2 Isonitrile intermediates for the preparation of tri-substituted imidazole compounds with multiple therapeutic properties SmithKline Beecham Corporation (US) 2002-07-31 EP disclosed
US-6222036-B1 REACTING 2-THIO-4-DIMETHYOXYMETHYL-PYRIMIDINE WITH ACETIC ACID AND CATALYTIC AMOUNT OF CONCETRATED SULFURIC ACID TO PRODUCE 2-THIOPYRIMIDINE ALDEHYDE SMITHKLINE BEECHAM CORPORATION 2001-04-24 US disclosed
US-6150557-A REACTING COMPOUND CONTAINING SECONDARY AMIDE GROUPS WITH BENZENESULFINIC ACID OR ITS DERIVATIVE IN PRESENCE OF ACID CATALYST SMITHKLINE BEECHAM CORPORATION (US) 2000-11-21 US disclosed
US-6103936-A REACTING ALDEHYDE, SULFIDE, SULFONE, OR SULFOXIDE WITH FORMAMIDE IN PRESENCE OF ACID CATALYST, AND OPTIONALLY A DEHYDRATING AGENT SMITHKLINE BEECHAM CORPORATION (US) 2000-08-15 US disclosed
EP-0270947-B1 SUBSTITUTED BASIC 2-AMINOTETRALINES BAYER AG (DE) 1993-05-19 EP disclosed
US-5153225-A For treating disorders of the central nervous system, cardiovascular system and intestinal tract BAYER AKTIENGESELLSCHAFT (DE) 1992-10-06 US disclosed
US-5137901-A For binding 5-HT 1 receptors; treating central nervous system disorders BAYER AKTIENGESELLSCHAFT (DE) 1992-08-11 US disclosed
US-5026857-A Cetnral nervous system disorders; antiserotonine agent BAYER AKTIENGESELLSCHAFT (DE) 1991-06-25 US disclosed
US-5021438-A Having affinity for 5-hydroxytryptamine receptors; treating central nervous system and cardiovascular disorders BAYER AKTIENGESELLSCHAFT (DE) 1991-06-04 US disclosed
CN-1039809-A The aminomethyl tetraline that replaces and the preparation of heterocycle homologue thereof BAYER AG (DE) 1990-02-21 CN disclosed
EP-0352613-A2 Substituted amino methyl tetralines, and their heterocyclic analogous compounds BAYER AG (DE) 1990-01-31 EP disclosed
US-4880802-A CENTRAL NERVOUS SYSTEM BAYER AKTIENGESELLSCHAFT (DE) 1989-11-14 US disclosed
CN-1036566-A 1,3,4,5-tetrahydro benzo [c, d] diindyl compounds BAYER AG (DE) 1989-10-25 CN disclosed
EP-0270947-A2 Substituted basic 2-aminotetralines BAYER AG (DE) 1988-06-15 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 (1 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-20020188122-A1 Novel compounds IL2, IFNG, IL1RN ITGB3 1100/4885ITGA2B 756/4885GNAI3 1021/4885

“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.