SCHEMBL6946289

SCHEMBL6946289

CN(C)CCCN1CCC(=O)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
TERT O14746 2/20 0.41
HRH1 P35367 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
HTR3E A5X5Y0 1/20 0.39
SLC22A2 O15244 1/20 0.39
SLC22A1 O15245 1/20 0.39
CACNA1F O60840 1/20 0.39
SLC22A3 O75751 1/20 0.39
HTR3B O95264 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PRNP P04156 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
HTR1A P08908 1/20 0.39
CHRM5 P08912 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CYP2D6 P10635 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL6948641 0.94 ALOX15 (0.37) ALOX15TERTALDH1A1PIM1HRH3
SCHEMBL6950262 0.92 ALDH1A1 (0.41) ALOX15TERTALDH1A1HRH3
SCHEMBL6945820 0.88 KDM4E (0.37) TERTHRH1LMNAMAPTALDH1A1
SCHEMBL31629197 0.82 ALOX15 (0.38) ALOX15TERTHRH1LMNAMAPT
SCHEMBL6947446 0.81 ACHE (0.42) HRH1SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL9434876 0.80 ALOX15 (0.50) ALOX15HRH1LMNAMAPTHTR3E
SCHEMBL8016659 0.80 HRH3 (0.45) DRD2DRD3HRH3
SCHEMBL27699518 0.80
SCHEMBL6947798 0.79 RAB9A (0.38) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL6947483 0.79 SIGMAR1 (0.39) ALDH1A1CHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6642231-B2 Antineoplastic agents, treatment for neuronal injury and degeneration AVENTIS PHARMACEUTICALS INC. 2003-11-04 US disclosed
EP-1056744-B1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMA INC (US) 2003-10-22 EP disclosed
US-20030105098-A1 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines AVENTISUB II INC. 2003-06-05 US disclosed
US-6479487-B1 INHIBIT CYCLIN DEPENDENT KINASES, PARTICULARLY CDK-2; ANTIAPOPTOSIS AGENT; INHIBITS DEVELOPMENT OF NEOPLASMS AVENTIS PHARMACEUTICALS INC. 2002-11-12 US disclosed
EP-1056744-A1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES Aventis Pharmaceuticals Inc. (US) 2000-12-06 EP disclosed
WO-1999043675-A1 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMACEUTICALS INC. (US) 1999-09-02 WO disclosed
US-4410536-A 7,8,9,10-Tetrahydrothieno[3,2-e]pyrido[4,3-b]indole compounds and their anti-depressant use TROPONWERKE GMBH & CO. K.G. (DE) 1983-10-18 US disclosed
EP-0012347-B1 7,8,9,10-TETRAHYDROTHIENO(3,2-E)PYRIDO(4,3-B)INDOLES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Troponwerke GmbH & Co. KG (DE) 1982-07-28 EP disclosed
EP-0012347-A1 7,8,9,10-Tetrahydrothieno(3,2-e)pyrido(4,3-b)indoles, process for their preparation and medicaments containing them Troponwerke GmbH & Co. KG (DE) 1980-06-25 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-20030105098-A1 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines CDK6, CDK5, CDK2 ALOX15 2960/4885TERT 1943/4885HRH1 3900/4885

“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.