SCHEMBL4887578

SCHEMBL4887578

CN1C(=O)C(C)(C)c2cc(CCCl)ccc21

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.42
CACNA1H O95180 2/20 0.41
CACNA1G O43497 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
ALOX5 P09917 1/20 0.41
TP53 P04637 1/20 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
SCHEMBL6750978 0.87 MEN1 (0.40) MEN1KMT2AGAAPKMPDE4A
SCHEMBL28250864 0.83 MEN1 (0.52) MEN1KMT2AGAAPKMPDE4A
SCHEMBL9027679 0.81 MEN1 (0.51) MEN1KMT2AGAAPKMPDE4A
SCHEMBL6452066 0.78 HDAC1 (0.43) MEN1KMT2APOLB
SCHEMBL17316429 0.78 CACNA1H (0.50) MEN1KMT2AGAAPKMPDE4A
SCHEMBL29267762 0.76 MEN1 (0.58) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL20424649 0.74 CACNA1H (0.50) MEN1KMT2AGAAPKMPOLB
SCHEMBL5539734 0.74 MEN1 (0.56) MEN1KMT2APKMPDE4APDE4B
SCHEMBL4884359 0.74 CBX7 (0.46) MEN1KMT2AGAAPKMPDE4A
SCHEMBL24201847 0.72 MEN1 (0.50) MEN1KMT2AGAAPKMPDE4A

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-20080269246-A1 METHOD FOR TREATING PEDIATRIC BIPOLAR DISORDER PFIZER INC 2008-10-30 US disclosed
EP-0281309-B1 PIPERAZINYL-HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 1991-12-27 EP disclosed
US-4883795-A Piperazinyl-heterocyclic compounds PFIZER INC. (US) 1989-11-28 US disclosed
US-4831031-A Aryl piperazinyl-(C2 or C4) alkylene heterocyclic compounds having neuroleptic activity PFIZER INC. (US) 1989-05-16 US disclosed
EP-0281309-A1 Piperazinyl-heterocyclic compounds PFIZER INC. (US) 1988-09-07 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-20080269246-A1 METHOD FOR TREATING PEDIATRIC BIPOLAR DISORDER GABBR1, GABRR1, GABBR2 MEN1 1142/4885KMT2A 1842/4885GAA 148/4885

“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.