SCHEMBL6285734

SCHEMBL6285734

Cc1cccc(CN(C(=O)OC(C)(C)C)c2cncc(Cl)n2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
GRM5 P41594 1/20 0.33
RAB9A P51151 2/20 0.32
GBA1 P04062 1/20 0.32
MAPKAPK2 P49137 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C9 P11712 2/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
F2 P00734 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL6286764 0.80 RIPK1 (0.42) GRM5HTR2CSLC6A4
SCHEMBL6285584 0.80 MAPKAPK2 (0.41) KMT2AMEN1MAPKAPK2CYP3A4CYP1A2
SCHEMBL6284845 0.79 HDAC1 (0.41) HDAC1HDAC8HDAC6KMT2AMEN1
SCHEMBL19512685 0.75 HDAC1 (0.45) HDAC1HDAC8HDAC6KMT2AMEN1
SCHEMBL27647279 0.74 KMT2A (0.34) KMT2AMEN1OPRM1OPRD1GRM5
SCHEMBL8331293 0.74 MEN1 (0.41) KMT2AMEN1OPRM1OPRD1GRM5
SCHEMBL6826820 0.73 SYK (0.35) KMT2ARAB9AMAPKAPK2
SCHEMBL2477714 0.72 PAX8 (0.36) KMT2AMAPKAPK2
SCHEMBL2890838 0.71 MT-CO2 (0.49) KMT2AMEN1MAPKAPK2
SCHEMBL15397431 0.71 GRIN2D (0.46) HDAC1KMT2AMEN1OPRM1OPRD1

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-6894050-B2 5-HT receptor ligands and uses thereof PFIZER INC. (US) 2005-05-17 US disclosed
US-20050090503-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-04-28 US disclosed
US-20050020604-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-01-27 US disclosed
EP-1401820-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2004-03-31 EP disclosed
US-20030125334-A1 5-HT receptor ligands and uses thereof CHIANG PHOEBE (US) 2003-07-03 US disclosed
WO-2003000666-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2003-01-03 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 (3 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-20050090503-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A HDAC1 2666/4885HDAC8 2295/4885HDAC6 1869/4885
US-20050020604-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A HDAC1 2666/4885HDAC8 2295/4885HDAC6 1869/4885
US-20030125334-A1 5-HT receptor ligands and uses thereof HTR1A, HTR2A, HTR5A HDAC1 2349/4885HDAC8 2238/4885HDAC6 1797/4885

“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.