SCHEMBL22291069

SCHEMBL22291069

CN(CCCO)C(=O)c1ccc(N2CCCN(C(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 12/20 0.46
SIGMAR1 Q99720 12/20 0.46
HTR1A P08908 2/20 0.46
ADRA2C P18825 2/20 0.46
HRH2 P25021 2/20 0.46
HRH1 P35367 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
DRD1 P21728 1/20 0.46
HTR1B P28222 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR1E P28566 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR2B P41595 1/20 0.46
SLC29A1 Q99808 1/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44

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
SCHEMBL5239282 0.87 TMEM97 (0.52) TMEM97SIGMAR1HTR1AADRA2CHRH2
SCHEMBL25415646 0.86 SIGMAR1 (0.42) TMEM97SIGMAR1HTR1AADRA2CHRH2
SCHEMBL29266142 0.84 ALDH1A1 (0.43) HRH3MEN1KMT2ALMNAMAPT
SCHEMBL5229150 0.81 TMEM97 (0.56) TMEM97SIGMAR1HTR1AADRA2CHRH2
SCHEMBL5237843 0.81 KMT2A (0.54) TMEM97SIGMAR1HTR1AADRA2CHRH2
SCHEMBL5232705 0.80 MEN1 (0.53) TMEM97SIGMAR1HTR1AADRA2CHRH2
SCHEMBL22290980 0.79 LMNA (0.57) TMEM97SIGMAR1HTR1AADRA2CHRH2
SCHEMBL5235413 0.78 TMEM97 (0.51) TMEM97SIGMAR1HTR1AADRA2CHRH2
SCHEMBL5231132 0.77 NPSR1 (0.50) TMEM97SIGMAR1HTR1AADRA2CHRH2
SCHEMBL19950156 0.77 MEN1 (0.60) TMEM97SIGMAR1HTR1AADRA2CHRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113677341-B Bicyclic pyridine compositions and methods for their use in cancer treatment 南卡罗莱纳大学 2024-07-05 CN disclosed
US-11572369-B2 Bicyclic pyridine compositions and methods of using the same for cancer therapy UNIVERSITY OF SOUTH CAROLINA (US) 2023-02-07 US disclosed
US-20220135583-A1 BICYCLIC PYRIDINE COMPOSITIONS AND METHODS OF USING THE SAME FOR CANCER THERAPY UNIVERSITY OF SOUTH CAROLINA 2022-05-05 US disclosed
EP-3917523-A1 BICYCLIC PYRIDINE COMPOSITIONS AND METHODS OF USING THE SAME FOR CANCER THERAPY University of South Carolina (US) 2021-12-08 EP disclosed
WO-2020160537-A1 BICYCLIC PYRIDINE COMPOSITIONS AND METHODS OF USING THE SAME FOR CANCER THERAPY UNIVERSITY OF SOUTH CAROLINA (US) 2020-08-06 WO disclosed
WO-2020160537-A1 BICYCLIC PYRIDINE COMPOSITIONS AND METHODS OF USING THE SAME FOR CANCER THERAPY UNIVERSITY OF SOUTH CAROLINA (US) 2020-08-06 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 (2 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-20220135583-A1 BICYCLIC PYRIDINE COMPOSITIONS AND METHODS OF USING THE SAME FOR CANCER THERAPY DPYD, TK2, TYMP TMEM97 4623/4885SIGMAR1 4525/4885HTR1A 3888/4885
US-11572369-B2 Bicyclic pyridine compositions and methods of using the same for cancer therapy DPYD, TK2, TYMP TMEM97 4623/4885SIGMAR1 4525/4885HTR1A 3888/4885

“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.