SCHEMBL533508

SCHEMBL533508

Fc1cnn(-c2cc[c]cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.40
GAA P10253 1/20 0.37
HPGDS O60760 1/20 0.34
ALKBH2 Q6NS38 1/20 0.34
GRM4 Q14833 2/20 0.34
TNIK Q9UKE5 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
KAT6A Q92794 4/20 0.33
MTOR P42345 1/20 0.31
RPTOR Q8N122 1/20 0.31
MLST8 Q9BVC4 1/20 0.31
GRM5 P41594 1/20 0.31
SCN9A Q15858 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
SCHEMBL3616893 0.78 GAA (0.37) TDO2GAAHPGDSALKBH2GRM4
SCHEMBL21262496 0.76 MAPT (0.44) TDO2GAAGRM4TNIKNPC1
SCHEMBL11901066 0.76 TDO2 (0.47) TDO2GAAHPGDSALKBH2GRM4
SCHEMBL5658498 0.76 TDO2 (0.41) TDO2GAAHPGDSALKBH2GRM4
SCHEMBL28396373 0.76 TDO2 (0.40) TDO2GAAHPGDSALKBH2GRM4
SCHEMBL533448 0.76 MAP4K4 (0.40) GAAHPGDSALKBH2GRM4NPC1
SCHEMBL27649794 0.76 GAA (0.37) GAAHPGDSALKBH2GRM4NPC1
SCHEMBL28432193 0.74 GRM5 (0.36) TDO2ALKBH2GRM5
SCHEMBL24409334 0.73 ALDH1A1 (0.53) TDO2HPGDSALKBH2NPC1RAB9A
SCHEMBL15729239 0.72 VHL (0.40) TDO2GAAHPGDSALKBH2GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP disclosed
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US disclosed
US-8648097-B2 Pyridylaminoacetic acid compound UBE INDUSTRIES, LTD. (JP) 2014-02-11 US disclosed
US-8497273-B2 Heterocyclic compounds suitable for treating disorders that respond to modulation of the serotonin 5HT6 receptor ABBOTT GMBH & CO. KG (DE) 2013-07-30 US disclosed
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA UBE INDUSTRIES, LTD. (JP) 2012-07-26 US disclosed
EP-2415763-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA Ube Industries, Ltd. (JP) 2012-02-08 EP disclosed
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE CORPORATION (JP) 2011-03-03 US disclosed
EP-2264009-A1 PYRIDYLAMINOACETIC ACID COMPOUND Ube Industries, Ltd. (JP) 2010-12-22 EP disclosed
US-20100048582-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2010-02-25 US 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-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 TDO2 1203/4885GAA 2639/4885HPGDS 419/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 TDO2 1190/4885GAA 2602/4885HPGDS 432/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 TDO2 1173/4885GAA 1887/4885HPGDS 1074/4885
US-20100048582-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR HTR6, HTR1A, HTR2C TDO2 769/4885GAA 2956/4885HPGDS 902/4885

“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.