SCHEMBL2242113

SCHEMBL2242113

CC(C)(C)C1[C@@H](O)[C@H](c2ccccc2)CCN1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 5/20 0.48
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
HRH3 Q9Y5N1 1/20 0.40
SLC18A3 Q16572 4/20 0.40
POLB P06746 1/20 0.40
TACR1 P25103 1/20 0.38
HTT P42858 1/20 0.38
KDM1A O60341 1/20 0.37

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
SCHEMBL19179846 0.89 RIPK1 (0.37) RIPK1SLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL16291788 0.88 HRH3 (0.36) RIPK1SLC6A3HRH3KDM1A
SCHEMBL15141291 0.88 HRH3 (0.36) RIPK1SLC6A3HRH3KDM1A
SCHEMBL6043785 0.86 KDM4E (0.41) RIPK1
SCHEMBL4099326 0.85 RIPK1 (0.41) RIPK1SLC6A2SLC6A4SLC6A3HRH3
SCHEMBL3991385 0.85 RIPK1 (0.41) RIPK1SLC6A2SLC6A4SLC6A3HRH3
SCHEMBL4114277 0.85 RIPK1 (0.41) RIPK1SLC6A2SLC6A4SLC6A3HRH3
SCHEMBL22551225 0.83 TSHR (0.41) SLC6A2SLC6A4SLC6A3HTTKDM1A
SCHEMBL17104487 0.77 RIPK1 (0.43) RIPK1SLC6A2SLC6A4SLC6A3HRH3
SCHEMBL3117004 0.76 RIPK1 (0.38) RIPK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 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 (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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 RIPK1 4754/4885SLC6A2 573/4885SLC6A4 1355/4885

“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.