SCHEMBL4868577

SCHEMBL4868577

COc1cccc(N2CCC(NC(=O)N3CCCCc4ccccc43)CC2)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.63
MAPK1 P28482 2/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
TSHR P16473 6/20 0.59
SMN1; SMN2 Q16637 3/20 0.57
MAPT P10636 3/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
LMNA P02545 3/20 0.53
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
TP53 P04637 2/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALOX15 P16050 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL4871897 0.90 MAPT (0.63) ALDH1A1MAPK1L3MBTL1TSHRSMN1; SMN2
SCHEMBL4871254 0.86 TSHR (0.71) ALDH1A1TSHRSMN1; SMN2MAPTNPC1
SCHEMBL4868028 0.86 TSHR (0.61) ALDH1A1MAPK1L3MBTL1TSHRSMN1; SMN2
SCHEMBL4865490 0.84 TSHR (0.64) ALDH1A1MAPK1L3MBTL1TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL4863848 0.83 TSHR (0.63) ALDH1A1MAPK1L3MBTL1TSHRSMN1; SMN2
SCHEMBL4868650 0.81 TSHR (0.66) ALDH1A1TSHRSMN1; SMN2MAPTNPC1
SCHEMBL4870649 0.81 TSHR (0.65) ALDH1A1TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL4871280 0.79 TSHR (0.92) ALDH1A1L3MBTL1TSHRSMN1; SMN2MAPT
SCHEMBL4870617 0.78 TSHR (0.95) ALDH1A1L3MBTL1TSHRSMN1; SMN2MAPT
SCHEMBL4863867 0.78 TSHR (0.95) ALDH1A1L3MBTL1TSHRSMN1; SMN2MAPT

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 3990/4885MAPK1 2006/4885L3MBTL1 4626/4885

“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.