SCHEMBL2915698

SCHEMBL2915698

CN1CCNC(CC(=O)O)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
ITGB3 P05106 1/20 0.37
ITGB2 P05107 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGAV P06756 1/20 0.37
ITGA2B P08514 1/20 0.37
ITGA5 P08648 1/20 0.37
ITGB5 P18084 1/20 0.37
ITGAL P20701 1/20 0.37
SLC6A1 P30531 4/20 0.36
GABRA5 P31644 4/20 0.36
GABRB2 P47870 4/20 0.36
SLC6A12 P48065 4/20 0.36
SLC6A11 P48066 4/20 0.36
SLC6A13 Q9NSD5 3/20 0.36
GABRA1 P14867 3/20 0.36
GABRR1 P24046 3/20 0.36
GABRA4 P48169 3/20 0.36
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33

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
SCHEMBL25154285 1.00 TSHR (0.40) TSHRITGB3ITGB2ITGB1ITGAV
SCHEMBL2914157 0.89 TSHR (0.38) TSHRITGB3ITGB2ITGB1ITGAV
SCHEMBL2918458 0.84 BIRC2 (0.32) BIRC2
SCHEMBL2912146 0.84 TSHR (0.39) TSHRITGB3ITGB2ITGB1ITGAV
SCHEMBL24721279 0.84 BIRC2 (0.32) BIRC2
SCHEMBL2917177 0.81 REN (0.35) GRIN2DGRIN3BTHRBGRIN1GRIN2A
SCHEMBL2917590 0.81 DPP4 (0.34) TSHRBIRC2
SCHEMBL2921471 0.81 BRD4 (0.44)
SCHEMBL2919417 0.78 POLB (0.39) TSHRCYP1A2CYP2C19LMNAMAPT
SCHEMBL24952530 0.77 CCR2 (0.41) TSHRITGB3ITGB2ITGB1ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024123991-A1 TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS WITH INHIBITORS OF BET FAMILY BDII BROMODOMAIN POSEIDON INNOVATION 1, INC. (US) 2024-06-13 WO disclosed
WO-2023064768-A1 G-PROTEIN-COUPLED RECEPTOR REGULATORS AND METHODS OF USE THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2023-04-20 WO disclosed
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 EP 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-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 TSHR 4631/4885ITGB3 1328/4885ITGB2 1975/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 TSHR 4671/4885ITGB3 2550/4885ITGB2 2621/4885

“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.