SCHEMBL4865490

SCHEMBL4865490

COc1ccccc1N1CCC(NC(=O)N2CCCCc3ccccc32)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
ALDH1A1 P00352 4/20 0.54
MAPK1 P28482 2/20 0.54
MAPT P10636 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
CYP1A2 P05177 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
LMNA P02545 3/20 0.50
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
GAA P10253 1/20 0.50
TP53 P04637 1/20 0.49

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
Hydrochloric Acid SCHEMBL4863848 0.99 TSHR (0.63) TSHRSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4871897 0.85 MAPT (0.63) TSHRSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4868577 0.84 ALDH1A1 (0.63) TSHRSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4871766 0.84 TSHR (0.68) TSHRSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4871254 0.83 TSHR (0.71) TSHRSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4871280 0.83 TSHR (0.92) TSHRSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4870649 0.82 TSHR (0.65) TSHRSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4870617 0.81 TSHR (0.95) TSHRSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4863867 0.81 TSHR (0.95) TSHRSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4869603 0.81 TSHR (0.95) TSHRSMN1; SMN2NPC1RAB9AALDH1A1

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 TSHR 261/4885SMN1; SMN2 2595/4885NPC1 630/4885

“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.