SCHEMBL6319153

SCHEMBL6319153

COC(=O)Nc1ccc(C(O)(CC(C)N(Cc2ccccc2)Cc2ccccc2)c2ccc(NC(=O)OC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
MTOR P42345 1/20 0.44
NR3C1 P04150 1/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 3/20 0.41
NPY5R Q15761 2/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6319157 1.00 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1MTORNR3C1
SCHEMBL6320365 0.88 HTT (0.53) SMN1; SMN2RAB9ANPC1MTORMAPT
SCHEMBL6320371 0.88 HTT (0.53) SMN1; SMN2RAB9ANPC1MTORMAPT
SCHEMBL6322166 0.86 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ANPC1NR3C1HPGD
SCHEMBL6322165 0.86 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ANPC1NR3C1HPGD
SCHEMBL7769551 0.82 KMT2A (0.38) SMN1; SMN2RAB9ANPC1HPGDHTT
SCHEMBL6322888 0.77 NPC1 (0.40) SMN1; SMN2RAB9ANPC1ALDH1A1LMNA
SCHEMBL6319486 0.77 KMT2A (0.40) SMN1; SMN2RAB9ANPC1ALDH1A1LMNA
SCHEMBL6322890 0.77 NPC1 (0.40) SMN1; SMN2RAB9ANPC1ALDH1A1LMNA
SCHEMBL6319494 0.77 KMT2A (0.40) SMN1; SMN2RAB9ANPC1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-25 US disclosed
EP-1107944-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-20 EP disclosed
WO-2000012462-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-03-09 WO 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 (2 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-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 SMN1; SMN2 1593/4885RAB9A 1231/4885NPC1 4266/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 SMN1; SMN2 1281/4885RAB9A 1187/4885NPC1 4169/4885

“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.