SCHEMBL2090899

SCHEMBL2090899

CC[C@](N)([C]=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.41
TAAR1 Q96RJ0 2/20 0.39
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 1/20 0.37
KIF11 P52732 2/20 0.37
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
SLC6A2 P23975 1/20 0.34
MEN1 O00255 1/20 0.34
TACR1 P25103 1/20 0.33
NR3C2 P08235 1/20 0.33
DRD2 P14416 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 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
SCHEMBL2090896 1.00 KCNN4 (0.41) KCNN4TAAR1CYP1A2CYP2D6KIF11
SCHEMBL6997314 0.79 CYP2D6 (0.42) KCNN4TAAR1CYP2D6KIF11MAPT
SCHEMBL6435042 0.74 KCNN4 (0.40) KCNN4TAAR1CYP2D6KIF11KMT2A
SCHEMBL28283289 0.74 KCNN4 (0.40) KCNN4TAAR1KIF11KMT2AMAPT
SCHEMBL147712 0.72 KCNN4 (0.52) KCNN4TAAR1CYP1A2CYP2D6KIF11
SCHEMBL10483069 0.71 KCNN4 (0.46) KCNN4TAAR1CYP1A2CYP2D6KMT2A
SCHEMBL11850226 0.71 KCNN4 (0.38) KCNN4TAAR1CYP2D6KIF11KMT2A
SCHEMBL6379499 0.70 KCNN4 (0.50) KCNN4TAAR1CYP1A2CYP2D6KIF11
SCHEMBL155932 0.70 TAAR1 (0.52) KCNN4TAAR1CYP1A2CYP2D6KMT2A
SCHEMBL141471 0.70 KCNN4 (0.50) KCNN4TAAR1CYP1A2CYP2D6KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4508413-B2 2010-07-21 JP claimed
US-20060270606-A1 Dolastatin 15 derivatives ABBOTT GMBH & CO., KG (DE) 2006-11-30 US claimed
US-20030153505-A1 Dolastatin 15 derivatives BASF AKTIENGESELLSCHAFT (DE) 2003-08-14 US claimed
US-6143721-A FOR TREATING CANCER IN MAMMALS BASF AKTIENGESELLSCHAFT (DE) 2000-11-07 US claimed
EP-0991658-A1 DOLASTATIN 15 DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-04-12 EP claimed
WO-1999003879-A1 DOLASTATIN 15 DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1999-01-28 WO claimed
US-20130046077-A1 DOLASTATIN 15 DERIVATIVES ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2013-02-21 US disclosed
US-8163698-B2 Dolastatin 15 derivatives ABBOTT GMBH & CO. KG (DE) 2012-04-24 US disclosed
US-20100099843-A1 DOLASTATIN 15 DERIVATIVES ABBOTT GMBH & CO. KG (DE) 2010-04-22 US disclosed
US-7662786-B2 oligopeptides; anticarcinogenic agent; good water solubility and cost effective; , B, D, E, F, G and K are alpha -amino acid residues, and s and r are each, independently, 0 or 1. L is a monovalent radical, such as,an amino group, an N-substituted amino group, a beta -hydroxylamino group, an alkoxy group ABBOTT GMBH & CO. KG (DE) 2010-02-16 US disclosed
US-20060270606-A1 Dolastatin 15 derivatives ABBOTT GMBH & CO., KG (DE) 2006-11-30 US disclosed
US-7084110-B2 Anticarcinogenic agents for treating cancer; pentapeptides, hexapeptides, heptapeptides, oligopeptides ABBOTT GMBH & CO., KG (DE) 2006-08-01 US disclosed
US-20030153505-A1 Dolastatin 15 derivatives BASF AKTIENGESELLSCHAFT (DE) 2003-08-14 US disclosed
US-6458765-B1 POLYPEPTIDES AS ANTICANCER AGENTS AND AGAINST CELL PROLIFERATION BASF AKTIENGESELLSCHAFT (DE) 2002-10-01 US disclosed
US-6143721-A FOR TREATING CANCER IN MAMMALS BASF AKTIENGESELLSCHAFT (DE) 2000-11-07 US disclosed
EP-0991658-A1 DOLASTATIN 15 DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-04-12 EP disclosed
WO-1999003879-A1 DOLASTATIN 15 DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1999-01-28 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 (4 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-20100099843-A1 DOLASTATIN 15 DERIVATIVES DDOST, DBI, DAO KCNN4 1836/4885TAAR1 4109/4885CYP1A2 3272/4885
US-20030153505-A1 Dolastatin 15 derivatives DBI, DDOST, BDKRB1 KCNN4 1894/4885TAAR1 4213/4885CYP1A2 3218/4885
US-20060270606-A1 Dolastatin 15 derivatives DDOST, DBI, DAO KCNN4 1836/4885TAAR1 4109/4885CYP1A2 3272/4885
US-20130046077-A1 DOLASTATIN 15 DERIVATIVES DDOST, DBI, DAO KCNN4 1836/4885TAAR1 4109/4885CYP1A2 3272/4885

“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.