SCHEMBL5365799

SCHEMBL5365799

CC(C)(C)OC(=O)N1CCN(c2cccc3cc(S(=O)(=O)c4ccccc4)n(C(=O)O)c23)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.48
GPR119 Q8TDV5 2/20 0.43
TGFBR1 P36897 3/20 0.43
BACE1 P56817 3/20 0.42
CKS1B P61024 2/20 0.42
SKP1 P63208 2/20 0.42
SKP2 Q13309 2/20 0.42
NR1H2 P55055 3/20 0.42
NR1H3 Q13133 3/20 0.42
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
PBRM1 Q86U86 1/20 0.41
GBA1 P04062 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
STS P08842 1/20 0.40

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
SCHEMBL14445210 0.95 PIK3CA (0.49) PIK3CAGPR119TGFBR1BACE1CKS1B
SCHEMBL5203252 0.89 PIK3CA (0.49) PIK3CAGPR119TGFBR1BACE1CKS1B
SCHEMBL5203030 0.80 TGFBR1 (0.46) PIK3CAGPR119TGFBR1BACE1CKS1B
SCHEMBL14395516 0.79 TGFBR1 (0.48) GPR119TGFBR1STS
SCHEMBL2197307 0.78 HTR2A (0.63) PIK3CAGPR119BACE1CKS1BSKP1
SCHEMBL27507705 0.78 HTR6 (0.40)
SCHEMBL6588562 0.78 BACE1 (0.46) GPR119BACE1CKS1BSKP1SKP2
SCHEMBL4867662 0.77 PIK3CA (0.49) PIK3CAGPR119TGFBR1BACE1CKS1B
SCHEMBL5202415 0.77 HTR6 (0.52) PIK3CAGPR119TGFBR1BACE1CKS1B
SCHEMBL14445211 0.76 CKS1B (0.44) GPR119BACE1CKS1BSKP1SKP2

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-7247651-B2 2,7-substituted indoles ROCHE PALO ALTO LLC (US) 2007-07-24 US disclosed
US-20040063724-A1 Neurotransmitter 5-hydroxytryptamine-6 (5-HT6) antagonists ROCHE PALO ALTO LLC 2004-04-01 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-20040063724-A1 Neurotransmitter 5-hydroxytryptamine-6 (5-HT6) antagonists HTR6, HTR5A, HTR1A PIK3CA 2555/4885GPR119 292/4885TGFBR1 1879/4885

“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.