SCHEMBL4868487

SCHEMBL4868487

O=C(NCC1CCCO1)N1CCCCc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
TSHR P16473 2/20 0.64
KDM4E B2RXH2 2/20 0.64
LMNA P02545 2/20 0.57
MAPT P10636 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
HPGD P15428 2/20 0.51
PKM P14618 2/20 0.49
NAMPT P43490 3/20 0.49
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49
POLB P06746 1/20 0.49
RECQL P46063 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL30541932 0.84 MAPT (0.59) ALDH1A1TSHRKDM4ELMNAMAPT
SCHEMBL22527576 0.84 MAPT (0.59) ALDH1A1TSHRKDM4ELMNAMAPT
SCHEMBL4870718 0.81 LMNA (0.72) TSHRLMNAMAPTNPSR1SMN1; SMN2
SCHEMBL4872554 0.76 LMNA (0.61) ALDH1A1TSHRKDM4ELMNAMAPT
SCHEMBL4869985 0.74 TSHR (0.60) TSHRLMNAMAPTNPSR1SMN1; SMN2
SCHEMBL4865168 0.74 TP53 (0.71) LMNAMAPTSMN1; SMN2PRMT5WDR77
SCHEMBL4869809 0.74 AVPR2 (0.58) TSHRLMNAMAPTSMN1; SMN2PRMT5
SCHEMBL1861546 0.73 MAPT (0.83) ALDH1A1TSHRLMNAMAPTNPSR1
SCHEMBL4865629 0.73 POLB (0.59) ALDH1A1LMNAPRMT5WDR77POLB
SCHEMBL4863710 0.73 POLB (0.74) LMNAPOLB

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 ALDH1A1 3990/4885TSHR 261/4885KDM4E 2044/4885

“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.