SCHEMBL4866045

SCHEMBL4866045

O=C(NCc1ccc(F)cc1)N1CCCOc2cc(F)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
MAPT P10636 2/20 0.49
TSHR P16473 2/20 0.49
HPGD P15428 1/20 0.49
LMNA P02545 3/20 0.47
TP53 P04637 2/20 0.47
POLB P06746 1/20 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 2/20 0.46
DGAT1 O75907 1/20 0.46
KCNQ2 O43526 1/20 0.45
LCK P06239 2/20 0.43
MET P08581 2/20 0.43
KDR P35968 2/20 0.43

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
SCHEMBL4867216 0.91 MAPT (0.43) KMT2AMEN1MAPTTSHRHPGD
SCHEMBL4867343 0.89 MAPT (0.42) KMT2AMEN1MAPTTSHRHPGD
SCHEMBL4867013 0.88 TSHR (0.64) KMT2AMEN1MAPTTSHRHPGD
SCHEMBL4870612 0.87 KCNQ2 (0.43) KMT2AMEN1MAPTTSHRHPGD
SCHEMBL4867190 0.86 P2RX7 (0.45) KMT2AMEN1MAPTTSHRHPGD
SCHEMBL4871337 0.85 P2RX7 (0.47) KMT2AMEN1TSHRPKM
SCHEMBL4870624 0.84 DGAT1 (0.46) MAPTTP53POLBDGAT1KCNQ2
SCHEMBL4867337 0.81 LMNA (0.53) KMT2AMEN1MAPTLMNATP53
SCHEMBL25937553 0.80 KCNQ2 (0.45) MAPTTSHRHPGDDGAT1KCNQ2
SCHEMBL25333702 0.79 KCNQ2 (0.47) MAPTTSHRHPGDLMNAPKM

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 KMT2A 2577/4885MEN1 651/4885MAPT 3398/4885

“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.