SCHEMBL25152124

SCHEMBL25152124

CC[C@H](CCC(=O)O)c1cnc(C)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.41
PSEN1 P49768 3/20 0.36
PSEN2 P49810 3/20 0.36
APH1B Q8WW43 3/20 0.36
NCSTN Q92542 3/20 0.36
APH1A Q96BI3 3/20 0.36
PSENEN Q9NZ42 3/20 0.36
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
ITGA2B P08514 1/20 0.34
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
P2RY2 P41231 2/20 0.32
SLC6A3 Q01959 1/20 0.31
P2RX7 Q99572 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31

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
SCHEMBL25152079 0.84 HCAR2 (0.43) HCAR2PSEN1PSEN2APH1BNCSTN
SCHEMBL19003676 0.80 PSEN1 (0.38) HCAR2PSEN1PSEN2APH1BNCSTN
SCHEMBL10205366 0.80 HCAR2 (0.36) HCAR2PSEN1PSEN2APH1BNCSTN
SCHEMBL11613186 0.70 HCAR2 (0.38) HCAR2SLC6A3P2RX7
SCHEMBL23489973 0.68 PSEN1 (0.34) HCAR2PSEN1PSEN2APH1BNCSTN
SCHEMBL18948474 0.68 NR1I2 (0.33) HCAR2PSEN1PSEN2APH1BNCSTN
SCHEMBL22758634 0.68 NR1I2 (0.33) HCAR2PSEN1PSEN2APH1BNCSTN
SCHEMBL11568943 0.67 HCAR2 (0.48) HCAR2SLC6A3ALDH1A1
SCHEMBL25152946 0.67 HCAR2 (0.41) HCAR2ITGB3ITGAVITGA2BP2RX7
SCHEMBL5119804 0.66 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A

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-11634396-B2 Opioid receptor modulators EPIODYNE, INC. (US) 2023-04-25 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-11634396-B2 Opioid receptor modulators OPRM1, OPRK1, OPRL1 HCAR2 200/4885PSEN1 4289/4885PSEN2 4164/4885

“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.