SCHEMBL12343889

SCHEMBL12343889

CCC(=O)CC1COc2ccccc2N1CC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ GAA P10253 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ KMT2A Q03164 4/20 0.41
▸ LMNA P02545 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ OPRD1 P41143 2/20 0.38
▸ NOTUM Q6P988 1/20 0.38
▸ MTNR1A P48039 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KIF11 P52732 1/20 0.37

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
SCHEMBL27499691 0.76 SMN1; SMN2 (0.40) L3MBTL1GAAPOLBNPSR1ALDH1A1
SCHEMBL11007300 0.73 SMN1; SMN2 (0.50) ALDH1A1KMT2ALMNASMN1; SMN2MEN1
SCHEMBL11561537 0.72 NR3C2 (0.43) L3MBTL1GAAPOLBNPSR1ALDH1A1
SCHEMBL9257555 0.71 MTNR1A (0.38) GAANPSR1ALDH1A1KMT2ALMNA
SCHEMBL11217085 0.70 LMNA (0.53) GAANPSR1ALDH1A1NPC1KMT2A
Hydrochloric Acid SCHEMBL11562793 0.68 NPSR1 (0.45) L3MBTL1GAAPOLBNPSR1ALDH1A1
SCHEMBL13490300 0.67 L3MBTL1 (0.41) L3MBTL1GAAPOLBNPSR1ALDH1A1
SCHEMBL27798753 0.67 ABCG2 (0.58) GAAALDH1A1NPC1KMT2AHPGD
SCHEMBL12339882 0.67 NPSR1 (0.47) L3MBTL1GAAPOLBNPSR1ALDH1A1
SCHEMBL13545197 0.64 HPGD (0.61) L3MBTL1GAAPOLBALDH1A1NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268814-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-18 — — US disclosed
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-11-05 — — US 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-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS BDKRB2, BDKRB1, TRPV1 L3MBTL1 4835/4885GAA 3388/4885POLB 4558/4885

“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.

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