SCHEMBL4871265

SCHEMBL4871265

O=C(NC1CCN(c2ccccc2)CC1)N1CCCOc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 2/20 0.49
GRM7 Q14831 1/20 0.48
MAPT P10636 3/20 0.47
LMNA P02545 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MTNR1A P48039 4/20 0.45
MTNR1B P49286 4/20 0.45
P2RX4 Q99571 1/20 0.45
EPHX2 P34913 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NOTUM Q6P988 1/20 0.43
THRB P10828 1/20 0.42
ACHE P22303 1/20 0.42
ME3 Q16798 1/20 0.42

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
SCHEMBL4868629 0.87 SMN1; SMN2 (0.45) SMN1; SMN2TSHRMAPTNPC1RAB9A
SCHEMBL4871254 0.79 TSHR (0.71) SMN1; SMN2TSHRMAPTNPC1RAB9A
SCHEMBL4866999 0.75 MAPT (0.61) SMN1; SMN2GRM7MAPTLMNANPC1
SCHEMBL4868650 0.74 TSHR (0.66) SMN1; SMN2TSHRMAPTNPC1RAB9A
SCHEMBL4871829 0.72 TSHR (0.54) SMN1; SMN2TSHRNPC1RAB9AEPHX2
SCHEMBL17748966 0.71 EPHX2 (0.61) SMN1; SMN2TSHREPHX2ALDH1A1NOTUM
SCHEMBL4870649 0.71 TSHR (0.65) SMN1; SMN2TSHRLMNANPC1RAB9A
SCHEMBL19859267 0.70 NOTUM (0.58) TSHRGRM7MAPTLMNANOTUM
SCHEMBL25429794 0.70 GRM7 (0.54) GRM7MAPTLMNARAB9ANOTUM
SCHEMBL14834101 0.70 MAPT (0.54) TSHRMAPTLMNAALDH1A1CYP3A4

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 SMN1; SMN2 2595/4885TSHR 261/4885GRM7 234/4885

“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.