SCHEMBL21730487

SCHEMBL21730487

CC(C)/C=C/C(=O)NCC1CCN(C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
MAPT P10636 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
KMT2A Q03164 1/20 0.37
NAMPT P43490 1/20 0.37
HDAC4 P56524 2/20 0.37
GSK3B P49841 1/20 0.37
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
ROCK2 O75116 1/20 0.35
KCNH2 Q12809 2/20 0.35
CACNA1I Q9P0X4 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL19975171 0.87 TAS1R3 (0.46) TAS1R3TAS1R1MAOAMAOBKMT2A
SCHEMBL19975172 0.87 TAS1R3 (0.46) TAS1R3TAS1R1MAOAMAOBKMT2A
SCHEMBL21730621 0.87 ACHE (0.43) TAS1R3TAS1R1MAOAMAOB
SCHEMBL20711077 0.78 TGM2 (0.41) MAPTKMT2ANAMPTHDAC4GSK3B
SCHEMBL21730466 0.76 TAS1R3 (0.50) TAS1R3TAS1R1KDM4E
SCHEMBL21730508 0.76 TAS1R3 (0.50) TAS1R3TAS1R1KDM4E
SCHEMBL9891801 0.76 MAPT (0.44) MAPTKMT2ANAMPTHDAC4GSK3B
SCHEMBL2142670 0.74 TDP1 (0.37) MAPTKMT2ANAMPTHDAC4GSK3B
SCHEMBL12935918 0.74 CKS1B (0.45) MAPTNAMPTHDAC4HDAC1HDAC2
SCHEMBL16494745 0.73 CYP2D6 (0.50) MAPTMAOBNAMPTHDAC4GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731986-B2 Inhibitors of low molecular weight protein tyrosine phosphatase (LMPTP) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-08-22 US disclosed
US-20230029557-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2023-02-02 US disclosed
US-11066420-B2 Inhibitors of low molecular weight protein tyrosine phosphatase (LMPTP) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2021-07-20 US disclosed
US-20200055875-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-02-20 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-20230029557-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF ACP1, PTPRCAP, PTPRO TAS1R3 3711/4885TAS1R1 3357/4885MAPT 3025/4885
US-11731986-B2 Inhibitors of low molecular weight protein tyrosine phosphatase (LMPTP) and uses thereof ACP1, PTPRCAP, PTPRO TAS1R3 3711/4885TAS1R1 3357/4885MAPT 3025/4885
US-20200055875-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF ACP1, PTPRCAP, PTPRO TAS1R3 3711/4885TAS1R1 3357/4885MAPT 3025/4885
US-11066420-B2 Inhibitors of low molecular weight protein tyrosine phosphatase (LMPTP) and uses thereof ACP1, PTPRCAP, PTPRO TAS1R3 3711/4885TAS1R1 3357/4885MAPT 3025/4885

“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.