SCHEMBL6947734

SCHEMBL6947734

O=C1CCN(CCCN(Cc2ccccc2)Cc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.48
NAMPT P43490 2/20 0.47
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
NCOR2 Q9Y618 2/20 0.46
BCHE P06276 3/20 0.45
ACHE P22303 3/20 0.45
SIGMAR1 Q99720 2/20 0.45
GRIN2B Q13224 1/20 0.42

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
SCHEMBL6947684 0.95 MAOB (0.49) MAOBNAMPTHDAC3HDAC1HDAC2
SCHEMBL6942997 0.94 MAOB (0.50) MAOBHDAC3HDAC1HDAC2HDAC8
SCHEMBL6950556 0.91 MAOB (0.46) MAOBNAMPTBCHEACHESIGMAR1
SCHEMBL3631678 0.83 SIGMAR1 (0.49) MAOBNAMPTHDAC3HDAC1HDAC2
SCHEMBL6942105 0.81 NAMPT (0.45) MAOBNAMPTHDAC3HDAC1HDAC2
SCHEMBL17782045 0.80 SIGMAR1 (0.50) NAMPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL16334964 0.80 SIGMAR1 (0.64) MAOBNAMPTHDAC3HDAC1HDAC2
SCHEMBL16334863 0.79 NAMPT (0.54) NAMPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL3959376 0.79 SIGMAR1 (0.72) SIGMAR1GRIN2B
SCHEMBL3634338 0.78 SIGMAR1 (0.47) MAOBNAMPTHDAC3HDAC1HDAC2

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 6 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

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 MAOB 2026/4885NAMPT 279/4885HDAC3 3387/4885

“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.