SCHEMBL8486135

SCHEMBL8486135

COCCN(C)c1ncccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.41
ALDH1A1 P00352 2/20 0.41
ACACB O00763 2/20 0.39
DYRK1A Q13627 1/20 0.38
SLC40A1 Q9NP59 1/20 0.37
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
DGAT1 O75907 1/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
GRM4 Q14833 3/20 0.36
KCNA5 P22460 1/20 0.35
CYP3A4 P08684 1/20 0.35
DPP4 P27487 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PIK3CD O00329 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
SCHEMBL2038058 0.82 ACACB (0.36) AOC3ALDH1A1ACACBDYRK1AKCNQ3
SCHEMBL2789122 0.80 ACACB (0.41) AOC3ALDH1A1ACACBDYRK1AKCNQ3
SCHEMBL12812529 0.80 ACACB (0.41) AOC3ALDH1A1ACACBDYRK1AKCNQ3
SCHEMBL3606370 0.80 ACACB (0.41) AOC3ALDH1A1ACACBDYRK1AKCNQ3
SCHEMBL8129550 0.79 CYP2C19 (0.51) ALDH1A1DGAT1LMNAMAPTCYP3A4
Hydrochloric Acid SCHEMBL3141149 0.79 ACACB (0.40) AOC3ALDH1A1ACACBDYRK1AKCNQ3
SCHEMBL18694633 0.77 ACACB (0.42) AOC3ALDH1A1ACACBDYRK1ASLC40A1
SCHEMBL20406573 0.77 AOC3 (0.38) AOC3ALDH1A1ACACBDYRK1ASLC40A1
SCHEMBL18788938 0.76 ALDH1A1 (0.35) ALDH1A1SLC40A1LMNAGRM4KCNA5
SCHEMBL13685055 0.76 ACACB (0.41) AOC3ALDH1A1ACACBDYRK1AKCNQ3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9162988-B2 Therapeutic or prophylactic agent for allergic dermatitis TORAY INDUSTRIES, INC. (JP) 2015-10-20 US disclosed
US-20130150390-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS TORAY INDUSTRIES, INC. (JP) 2013-06-13 US disclosed
US-7893046-B2 agent comprises as an effective ingredient a glycine derivative or a pharmaceutically acceptable salt thereof, for example [(E)-2-(2,6-dichlorobenzamido)-5-[4-(isopropyl-pyrimidin-2-ylamino)phenyl]pent-4-enoic acid] TORAY INDUSTRIES, INC. (JP) 2011-02-22 US disclosed
US-7879837-B2 administering glycine derivatives such as (E)-2-(2,6-dichlorobenzamido)-5-[4-(isopropyl-pyrimidin-2-ylamino)phenyl]pent-4-enoic acid, used for the treatment of nervous system disorders TORAY INDUSTRIES, INC. (JP) 2011-02-01 US disclosed
US-20090275599-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR MULTIPLE SCLEROSIS TORAY INDUSTRIES, INC. (JP) 2009-11-05 US disclosed
US-20090253724-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR LEUKEMIA TORAY INDUSTRIES, INC. (JP) 2009-10-08 US disclosed
US-7566724-B2 Glycine derivative and use thereof TORAY INDUSTRIES, INC. (JP) 2009-07-28 US disclosed
US-20090093508-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS TORAY INDUSTRIES, INC. (JP) 2009-04-09 US disclosed
US-20080085910-A1 Glycine Derivative and Use Thereof TORAY INDUSTRIES, INC. (JP) 2008-04-10 US disclosed
US-20080027037-A1 Cyclic compounds TANABE SEIYAKU CO., LTD. 2008-01-31 US disclosed
US-7273868-B2 Pyrazine derivatives TANABE SEIYAKU CO., LTD. (JP) 2007-09-25 US disclosed
US-7220736-B2 Pyrimidine compounds TANABE SEIYAKU CO., LTD. (JP) 2007-05-22 US disclosed
EP-1277741-A1 CYCLIC COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2003-01-22 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 (6 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-20090093508-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS HRH2, TSLP, ENPEP AOC3 1908/4885ALDH1A1 870/4885ACACB 1449/4885
US-20130150390-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS HRH2, TSLP, ENPEP AOC3 1908/4885ALDH1A1 870/4885ACACB 1449/4885
US-20080085910-A1 Glycine Derivative and Use Thereof GNMT, SI, SLC7A11 AOC3 3244/4885ALDH1A1 1428/4885ACACB 2811/4885
US-20090275599-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR MULTIPLE SCLEROSIS PMP22, MGMT, ENPEP AOC3 4111/4885ALDH1A1 2606/4885ACACB 1600/4885
US-20090253724-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR LEUKEMIA MCL1, ENPEP, SLC7A1 AOC3 4544/4885ALDH1A1 637/4885ACACB 1833/4885
US-20080027037-A1 Cyclic compounds PDE4A, PDE4B, PDE3B AOC3 2284/4885ALDH1A1 1483/4885ACACB 4099/4885

“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.