SCHEMBL5099525

SCHEMBL5099525

NC(=O)CNCCCc1ccc(Cl)cc1C1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.37
SLC6A4 P31645 4/20 0.37
SLC6A3 Q01959 1/20 0.37
SHMT1 P34896 1/20 0.37
SHMT2 P34897 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
PTGDR2 Q9Y5Y4 6/20 0.36
PTGDR Q13258 4/20 0.36
PTGER2 P43116 1/20 0.35
P2RX7 Q99572 3/20 0.35
HTR6 P50406 2/20 0.34
HTR1A P08908 1/20 0.34
CHRM1 P11229 1/20 0.33

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
SCHEMBL5099535 0.85 SLC6A4 (0.40) SLC6A2SLC6A4SLC6A3SHMT1SHMT2
SCHEMBL5099917 0.83 OPRL1 (0.44) SLC6A3SHMT1
SCHEMBL5096958 0.78 HTR2C (0.46)
SCHEMBL5093247 0.78 HTR3A (0.41) SLC6A4P2RX7HTR6HTR1A
SCHEMBL5099387 0.77 CNR1 (0.48) P2RX7
SCHEMBL5093211 0.74 MAOA (0.41)
SCHEMBL17594208 0.73 CA12 (0.45) SLC6A4
SCHEMBL5099925 0.72 OPRL1 (0.48) SHMT1
SCHEMBL5099968 0.71 TPH1 (0.41)
SCHEMBL5105809 0.71 XIAP (0.41)

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 SLC6A2 1644/4885SLC6A4 1906/4885SLC6A3 1226/4885

“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.