SCHEMBL5099478

SCHEMBL5099478

CC(C)(C)OC(=O)N1CCC(c2cc(Cl)ccc2I)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STS P08842 4/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
KDM4E B2RXH2 1/20 0.50
THRB P10828 1/20 0.50
USP2 O75604 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CNR1 P21554 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
GPR119 Q8TDV5 1/20 0.45

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
SCHEMBL4334254 0.88 MAPT (0.56) STSMEN1KMT2AMAPTNPSR1
SCHEMBL1093328 0.86 MAPT (0.51) STSMEN1KMT2AMAPTNPSR1
SCHEMBL23294363 0.85 MAPT (0.50) MAPTKDM4ETHRBALDH1A1GPR119
SCHEMBL29852115 0.85 MAPT (0.50) MAPTKDM4ETHRBALDH1A1GPR119
SCHEMBL4786221 0.85 CNR1 (0.56) STSMEN1KMT2AMAPTNPSR1
SCHEMBL4319954 0.84 PDE4B (0.53) STSMEN1KMT2AMAPTNPSR1
SCHEMBL14401199 0.84 STS (0.53) STSMEN1KMT2AMAPTNPSR1
SCHEMBL12713102 0.84 STS (0.53) STSMEN1KMT2AMAPTNPSR1
SCHEMBL17222860 0.83 RBP4 (0.51) STSMEN1KMT2AMAPTNPSR1
SCHEMBL29915576 0.83 RBP4 (0.51) STSMEN1KMT2AMAPTNPSR1

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-7449477-B2 7-phenyl-isoquinoline-5-sulfonylamino derivatives as inhibitors of akt (protein kinase B) ELI LILLY AND COMPANY (US) 2008-11-11 US disclosed
US-20070037796-A1 e.g. 7-Phenyl-isoquinoline-5-sulfonic acid {2-[3 -(4-nitrophenyl)-propylamino]-ethyl}-amide, dihydrochloride salt; antiviral, antineoplastic, anticarcinogenic agents; neoplasms ELI LILLY AND COMPANY 2007-02-15 US disclosed
EP-1689719-A1 7-PHENYL-ISOQUINOLINE-5-SULFONYLAMINO DERIVATIVES AS INHIBITORS OF AKT (PROTEINKINASE B) ELI LILLY AND COMPANY (US) 2006-08-16 EP disclosed
WO-2005054202-A1 7-PHENYL-ISOQUINOLINE-5-SULFONYLAMINO DERIVATIVES AS INHIBITORS OF AKT (PROTEINKINASE B) ELI LILLY AND COMPANY (US) 2005-06-16 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 (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-20070037796-A1 e.g. 7-Phenyl-isoquinoline-5-sulfonic acid {2-[3 -(4-nitrophenyl)-propylamino]-ethyl}-amide, dihydrochloride salt; antiviral, antineoplastic, anticarcinogenic agents; neoplasms POLI, HRAS, CHUK STS 1033/4885MEN1 2522/4885KMT2A 1770/4885

“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.