SCHEMBL6623610

SCHEMBL6623610

CC(C)N(C(=O)c1ccccc1N)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 7/20 0.48
HSD17B10 Q99714 4/20 0.48
CFTR P13569 1/20 0.48
P2RX4 Q99571 4/20 0.48
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 2/20 0.44
FADS1 O60427 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.40
P2RX1 P51575 1/20 0.40
P2RX3 P56373 1/20 0.40
P2RX7 Q99572 1/20 0.40

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
SCHEMBL9791476 0.85 P2RX4 (0.49) KDM4EALDH1A1HSD17B10CFTRP2RX4
SCHEMBL6367841 0.83 KDM4E (0.49) KDM4EALDH1A1HSD17B10CFTRMAPT
SCHEMBL27564938 0.81 IRAK4 (0.49) KDM4EALDH1A1HSD17B10P2RX4MAPT
SCHEMBL11756196 0.78 P2RX4 (0.49) KDM4EALDH1A1P2RX4MAPTGAA
SCHEMBL21891698 0.78 ALDH1A1 (0.56) KDM4EALDH1A1P2RX4MAPTTSHR
SCHEMBL8165729 0.78 P2RX4 (0.49) KDM4EALDH1A1P2RX4MAPTGAA
SCHEMBL12989218 0.78 KMT2A (0.50) P2RX4TSHRNPSR1HPGDP2RX1
SCHEMBL8011594 0.78 SLC6A2 (0.49) P2RX4TSHRNPSR1HPGDP2RX1
Acetic Acid SCHEMBL8079766 0.78 TSHR (0.49) KDM4EALDH1A1HSD17B10P2RX4MAPT
SCHEMBL9819160 0.78 TSHR (0.39) KDM4EALDH1A1HSD17B10P2RX4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017106426-A1 FE NANOPARTICLES WITH PPM CONTENTS OF PD, CU AND/OR NI, REACTIONS IN WATER CATALYZED BY THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-06-22 WO disclosed
WO-2017106426-A1 FE NANOPARTICLES WITH PPM CONTENTS OF PD, CU AND/OR NI, REACTIONS IN WATER CATALYZED BY THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-06-22 WO disclosed
US-20170173569-A1 Fe-ppm Pd, Cu and/or Ni Nanoparticle-Catalyzed Reactions in Water LIPSHUTZ BRUCE H (US) 2017-06-22 US disclosed
US-20170173569-A1 Fe-ppm Pd, Cu and/or Ni Nanoparticle-Catalyzed Reactions in Water LIPSHUTZ BRUCE H (US) 2017-06-22 US disclosed
US-20170173569-A1 Fe-ppm Pd, Cu and/or Ni Nanoparticle-Catalyzed Reactions in Water LIPSHUTZ BRUCE H (US) 2017-06-22 US disclosed
EP-1395556-A1 4-(PHENYL-(PIPERIDIN-4-YL)-AMINO)-BENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PAIN, ANXIETY OR GASTROINTESTINAL DISORDERS AstraZeneca AB (SE) 2004-03-10 EP disclosed
WO-2002094784-A1 4-(PHENYL-(PIPERIDIN-4-YL)-AMINO)-BENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PAIN, ANXIETY OR GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2002-11-28 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 (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-20170173569-A1 Fe-ppm Pd, Cu and/or Ni Nanoparticle-Catalyzed Reactions in Water TPR, SOD1, ZNF207 KDM4E 1803/4885ALDH1A1 1764/4885HSD17B10 4667/4885

“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.