SCHEMBL4871897

SCHEMBL4871897

COc1ccc(N2CCC(NC(=O)N3CCCCc4ccccc43)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.63
TSHR P16473 4/20 0.61
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
GFER P55789 1/20 0.54
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PKM P14618 1/20 0.54
NFKB1 P19838 1/20 0.54
MAOB P27338 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
THRB P10828 1/20 0.53
AVPR2 P30518 1/20 0.52
GAA P10253 3/20 0.52
LMNA P02545 2/20 0.52
HPGD P15428 1/20 0.52
MEN1 O00255 1/20 0.52

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
SCHEMBL4868577 0.90 ALDH1A1 (0.63) MAPTTSHRALDH1A1SMN1; SMN2NPC1
SCHEMBL4871254 0.88 TSHR (0.71) MAPTTSHRALDH1A1SMN1; SMN2NPC1
SCHEMBL4870649 0.86 TSHR (0.65) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4865490 0.85 TSHR (0.64) MAPTTSHRALDH1A1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL4863848 0.84 TSHR (0.63) MAPTTSHRALDH1A1SMN1; SMN2NPC1
SCHEMBL4868650 0.83 TSHR (0.66) MAPTTSHRALDH1A1SMN1; SMN2NPC1
SCHEMBL4871280 0.81 TSHR (0.92) MAPTTSHRALDH1A1SMN1; SMN2NPC1
SCHEMBL4863867 0.80 TSHR (0.95) MAPTTSHRALDH1A1SMN1; SMN2NPC1
SCHEMBL4869603 0.80 TSHR (0.95) MAPTTSHRALDH1A1SMN1; SMN2NPC1
SCHEMBL4870617 0.80 TSHR (0.95) MAPTTSHRALDH1A1SMN1; SMN2NPC1

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 MAPT 3398/4885TSHR 261/4885ALDH1A1 3990/4885

“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.