SCHEMBL4867013

SCHEMBL4867013

O=C(NCc1ccc(F)cc1)N1CCCOc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.64
HPGD P15428 1/20 0.64
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
MAPT P10636 5/20 0.55
THRB P10828 2/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
POLB P06746 2/20 0.47
TP53 P04637 2/20 0.47
LMNA P02545 2/20 0.47
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47
CASP6 P55212 1/20 0.47
PTPN11 Q06124 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PKM P14618 1/20 0.46

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
SCHEMBL4866045 0.88 KMT2A (0.50) TSHRHPGDMEN1KMT2AMAPT
SCHEMBL4869441 0.81 TP53 (0.61) MEN1KMT2AMAPTTHRBNPC1
SCHEMBL4867216 0.80 MAPT (0.43) TSHRHPGDMEN1KMT2AMAPT
SCHEMBL6677980 0.79 MEN1 (0.45) TSHRHPGDMEN1KMT2AMAPT
SCHEMBL4867343 0.78 MAPT (0.42) TSHRHPGDMEN1KMT2AMAPT
SCHEMBL4871913 0.78 KMT2A (0.50) TSHRHPGDMEN1KMT2AMAPT
SCHEMBL6677976 0.77 MEN1 (0.45) TSHRHPGDMEN1KMT2AMAPT
SCHEMBL4870612 0.76 KCNQ2 (0.43) TSHRHPGDMEN1KMT2AMAPT
SCHEMBL4867190 0.76 P2RX7 (0.45) TSHRHPGDMEN1KMT2AMAPT
SCHEMBL6677985 0.75 MAPT (0.51) TSHRHPGDMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368444-B2 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-06 US disclosed
US-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 US disclosed
EP-1475368-A1 N-CARBAMOYL NITROGEN-CONTAINING FUSED RING COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-10 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-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient CNR1, CNR2, NPSR1 TSHR 261/4885HPGD 203/4885MEN1 651/4885

“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.