SCHEMBL1663593

SCHEMBL1663593

CC(C)CC(N)C1(O)CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.45
SLC6A3 Q01959 2/20 0.45
SLC6A2 P23975 4/20 0.41
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
ANPEP P15144 4/20 0.33
SLC7A5 Q01650 1/20 0.32
LAP3 P28838 2/20 0.31
ERAP1 Q9NZ08 1/20 0.31
OPRM1 P35372 1/20 0.31

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
SCHEMBL7103362 1.00 SLC6A4 (0.45) SLC6A4SLC6A3SLC6A2TSHRTP53
SCHEMBL1152845 1.00 SLC6A4 (0.45) SLC6A4SLC6A3SLC6A2TSHRTP53
SCHEMBL7675403 1.00 SLC6A4 (0.45) SLC6A4SLC6A3SLC6A2TSHRTP53
SCHEMBL1152831 0.98 SLC6A4 (0.42) SLC6A4SLC6A3SLC6A2TSHRTP53
SCHEMBL1661017 0.98 SLC6A4 (0.42) SLC6A4SLC6A3SLC6A2TSHRTP53
SCHEMBL7105929 0.93 TSHR (0.42) SLC6A4SLC6A3SLC6A2TSHRTP53
SCHEMBL1152611 0.93 TSHR (0.42) SLC6A4SLC6A3SLC6A2TSHRTP53
SCHEMBL7676836 0.74 SLC6A4 (0.36) SLC6A4SLC6A3SLC6A2OPRM1
SCHEMBL7108059 0.74 SLC6A4 (0.36) SLC6A4SLC6A3SLC6A2OPRM1
SCHEMBL1661392 0.74 SLC6A4 (0.36) SLC6A4SLC6A3SLC6A2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1958940-B1 CONDENSATION REACTION BY METAL CATALYST TAKASAGO PERFUMERY CO LTD (JP) 2013-06-26 EP disclosed
US-20110098479-A1 CONDENSATION REACTION BY METAL CATALYST MASHIMA KAZUSHI 2011-04-28 US disclosed
US-7888513-B2 Condensation reaction by metal catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-02-15 US disclosed
US-20090198070-A1 Condensation Reaction by Metal Catalyst OSAKA UNIVERSITY (JP) 2009-08-06 US disclosed
EP-1958940-A1 CONDENSATION REACTION BY METAL CATALYST Takasago International Corporation (JP) 2008-08-20 EP disclosed
EP-0942010-B1 Transition metal compounds, catalyst components and catalysts for olefin polymerization, and process for producing olefinic polymer SUMITOMO CHEMICAL CO (JP) 2003-06-18 EP disclosed
US-6500909-B2 CONTAINING NICKEL, PALLADIUM, RHODIUM, RUTHENIUM, OR COBALT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-31 US disclosed
US-6410741-B1 INSECTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-25 US disclosed
US-20010027162-A1 Transition metal compound, catalyst component for olefin polymerization, catalyst for olefin polymerization, and process for producing olefinic polymer HIRAHATA WATARU (JP) 2001-10-04 US disclosed
US-6242377-B1 POLYMERIZATION IN PRESENCE OF BISOXAZOLINE WITH NICKEL, COBALT, PALLADIUM, RHODIUM, RUTHENIUM, ALUMINUM AND BORON COMPLEXES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-06-05 US disclosed
US-6072081-A Optically active bisoxazoline compounds, production and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-06-06 US disclosed
EP-0942010-A1 Transition metal compounds, catalyst components and catalysts for olefin polymerization, and process for producing olefinic polymers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-09-15 EP 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 (2 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-20110098479-A1 CONDENSATION REACTION BY METAL CATALYST C9, CBR3, C1R SLC6A4 3420/4885SLC6A3 4490/4885SLC6A2 4602/4885
US-20090198070-A1 Condensation Reaction by Metal Catalyst C9, CBR3, C1R SLC6A4 3420/4885SLC6A3 4490/4885SLC6A2 4602/4885

“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.