SCHEMBL5105809

SCHEMBL5105809

CC1CN(c2cc(Cl)ccc2CCCNCC(N)=O)CCN1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
XIAP P98170 6/20 0.41
BIRC2 Q13490 6/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 2/20 0.37
UGCG Q16739 2/20 0.37
MC4R P32245 2/20 0.36
MC5R P33032 2/20 0.36
MC3R P41968 2/20 0.36
USP28 Q96RU2 2/20 0.36
USP25 Q9UHP3 1/20 0.36
BRPF1 P55201 2/20 0.35
BRD4 O60885 1/20 0.35
BCL2A1 Q16548 2/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL5105811 0.87 ALDH1A1 (0.39) XIAPBIRC2ALDH1A1LMNACYP3A4
SCHEMBL5093247 0.86 HTR3A (0.41) LMNACYP3A4USP28USP25THRB
SCHEMBL5099968 0.82 TPH1 (0.41) ALDH1A1LMNA
SCHEMBL5093298 0.81 POLB (0.43) ALDH1A1BCL2A1MAPT
SCHEMBL5096945 0.79 PLA2G7 (0.43) ALDH1A1LMNAGAAMAPT
SCHEMBL5099602 0.79 TPH1 (0.34) MC4RMAPT
SCHEMBL5099387 0.72 CNR1 (0.48) ALDH1A1
SCHEMBL5699010 0.71 TNKS (0.33) ALDH1A1LMNAMAPT
SCHEMBL17594208 0.71 CA12 (0.45) ALDH1A1LMNACYP3A4MAPT
SCHEMBL5099525 0.71 SLC6A2 (0.37)

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 XIAP 1094/4885BIRC2 2787/4885ALDH1A1 1956/4885

“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.