SCHEMBL25875354

SCHEMBL25875354

O=C1NCCC12CNCCN2Cc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.47
AKR1B1 P15121 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RAB9A P51151 1/20 0.35
CXCR3 P49682 2/20 0.35
METAP2 P50579 2/20 0.34
HTR3A P46098 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
DRD2 P14416 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34

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
SCHEMBL19851208 0.87 OPRL1 (0.45) ALDH1A1CYP3A4CYP2C9HSD17B10GRIN1
SCHEMBL25314026 0.78 POLB (0.40) ALDH1A1POLB
SCHEMBL19851191 0.76 SIGMAR1 (0.45) ALDH1A1CYP3A4CYP2C9HSD17B10SIGMAR1
SCHEMBL19839200 0.76 SIGMAR1 (0.45) ALDH1A1CYP3A4CYP2C9HSD17B10SIGMAR1
SCHEMBL518379 0.74 ALDH1A1 (0.44) ALDH1A1POLBCYP1A2CYP3A4CYP2C9
SCHEMBL25312196 0.72 KDM1A (0.42) ALDH1A1POLBOPRD1OPRK1
SCHEMBL19839005 0.71 ALDH1A1 (0.47) ALDH1A1POLBAKR1B1CYP3A4CYP2C9
SCHEMBL1555927 0.70 SLC6A9 (0.50) HSD17B10GRIN1GRIN2AGRIN2BOPRM1
SCHEMBL21225679 0.70 ALDH1A1 (0.42) ALDH1A1POLBRAB9AOPRM1
SCHEMBL5353756 0.69 OPRL1 (0.45) ALDH1A1CYP1A2CYP3A4CYP2C9OPRL1

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-20230210851-A1 SPIRO-LACTAM COMPOUNDS AND METHODS OF TREATING VIRAL INFECTIONS USING THE SAME APTINYX INC (US) 2023-07-06 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-20230210851-A1 SPIRO-LACTAM COMPOUNDS AND METHODS OF TREATING VIRAL INFECTIONS USING THE SAME ACE, ACE2, PREP ALDH1A1 1618/4885POLB 3030/4885AKR1B1 1511/4885

“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.