SCHEMBL4823910

SCHEMBL4823910

CN1CCN(c2ccc3c(c2)CCC(C)(C)O3)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
KDM4E B2RXH2 4/20 0.45
MAPT P10636 3/20 0.45
GAA P10253 3/20 0.45
PTK2B Q14289 2/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
PKM P14618 2/20 0.43
PKLR P30613 1/20 0.43
HTR3A P46098 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GHSR Q92847 1/20 0.41
GLA P06280 1/20 0.41
TRIM24 O15164 1/20 0.41
BRD1 O95696 1/20 0.41
BRPF1 P55201 1/20 0.41
ADRA2C P18825 2/20 0.41

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
SCHEMBL19904404 0.76 GHSR (0.42) KMT2AMEN1MAPTGAAPKM
SCHEMBL11918508 0.76 HRH3 (0.58)
SCHEMBL16695388 0.75 NOTUM (0.51) GHSRSSTR5
SCHEMBL26471240 0.75 KDM4E (0.39) KMT2AMEN1KDM4EMAPTGAA
SCHEMBL16695084 0.74 GHSR (0.41) KMT2AMEN1MAPTPKMPKLR
SCHEMBL6849624 0.73 PKM (0.49) KMT2AMEN1MAPTGAAPKM
SCHEMBL26471524 0.72 NPC1 (0.36) KMT2AMEN1KDM4EMAPTGAA
SCHEMBL14922296 0.72 HTR3A (0.47) KMT2AMEN1KDM4EMAPTGAA
SCHEMBL3184205 0.71 AKT1 (0.56) KDM4EMAPTGAAPKMPKLR
SCHEMBL6025550 0.71 PKM (0.48) KMT2AMEN1MAPTGAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442704-B2 Amide derivatives ASTRAZENECA AB (SE) 2008-10-28 US disclosed
US-7332483-B2 3-(5-benzamido-2-chlorophenyl)-7-methoxy-3,4-dihydroquinazolin-4-one;cytokines (tumor necrosis factor and interleukins) inhibitor; antiinflammatory agent, rheumatoid arthritis, osteoarthritis, psoriasis, chronic obstructive pulmonary disease ASTRAZENECA AB (SE) 2008-02-19 US disclosed
US-20060281734-A1 Amide derivatives BROWN DEARG S 2006-12-14 US disclosed
US-7008945-B1 Amide derivatives ASTRAZENECA AB (SE) 2006-03-07 US disclosed
US-20050245551-A1 Amide derivatives ASTRAZENECA AB 2005-11-03 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 (2 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-20050245551-A1 Amide derivatives IL6, IL6ST, IL1B KMT2A 2740/4885MEN1 2386/4885KDM4E 1496/4885
US-20060281734-A1 Amide derivatives IL6, IL6ST, IL1B KMT2A 2740/4885MEN1 2386/4885KDM4E 1496/4885

“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.