SCHEMBL21730451

SCHEMBL21730451

CC(C)Nc1ccc(CN2CCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
KDM4E B2RXH2 3/20 0.61
HRH3 Q9Y5N1 4/20 0.61
NCF1 P14598 1/20 0.58
HRH4 Q9H3N8 1/20 0.55
MBTD1 Q05BQ5 1/20 0.52
L3MBTL3 Q96JM7 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TNIK Q9UKE5 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 1/20 0.49
GFER P55789 1/20 0.49
KMT2A Q03164 1/20 0.49
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL20419258 0.88 CHKA (0.58) ALDH1A1KDM4EHRH3NCF1HDAC6
SCHEMBL18403966 0.81 NCF1 (0.67) ALDH1A1KDM4EHRH3NCF1HRH4
SCHEMBL11201497 0.79 HRH3 (0.94) ALDH1A1KDM4EHRH3NCF1HRH4
SCHEMBL3860591 0.79 HRH3 (0.69) ALDH1A1KDM4EHRH3NCF1HRH4
SCHEMBL12038517 0.79 HRH3 (0.69) ALDH1A1KDM4EHRH3NCF1HRH4
SCHEMBL6739716 0.78 ALDH1A1 (0.55) ALDH1A1KDM4EHRH3CYP2D6CYP2C19
SCHEMBL13323461 0.78 NCF1 (0.68) ALDH1A1KDM4EHRH3NCF1HRH4
SCHEMBL21730452 0.78 HRH3 (0.61) ALDH1A1KDM4EHRH3NCF1HRH4
Hydrochloric Acid SCHEMBL11196296 0.77 HRH3 (0.90) ALDH1A1KDM4EHRH3NCF1HRH4
SCHEMBL4277270 0.77 HRH3 (1.00) ALDH1A1KDM4EHRH3NCF1HRH4

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 5 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-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 ALDH1A1 4030/4885KDM4E 1140/4885HRH3 4795/4885
US-11731986-B2 Inhibitors of low molecular weight protein tyrosine phosphatase (LMPTP) and uses thereof ACP1, PTPRCAP, PTPRO ALDH1A1 4030/4885KDM4E 1140/4885HRH3 4795/4885
US-20200055875-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF ACP1, PTPRCAP, PTPRO ALDH1A1 4030/4885KDM4E 1140/4885HRH3 4795/4885
US-11066420-B2 Inhibitors of low molecular weight protein tyrosine phosphatase (LMPTP) and uses thereof ACP1, PTPRCAP, PTPRO ALDH1A1 4030/4885KDM4E 1140/4885HRH3 4795/4885

“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.