SCHEMBL5520151

SCHEMBL5520151

O=C(OCc1ccccc1)C1CN(Cc2ccccc2)CCN1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 3/20 0.48
AGTR2 P50052 1/20 0.48
SIGMAR1 Q99720 2/20 0.47
S1PR5 Q9H228 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.43
SPHK1 Q9NYA1 1/20 0.43

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
SCHEMBL28879461 1.00 FKBP1A (0.48) FKBP1AAGTR2SIGMAR1S1PR5L3MBTL1
SCHEMBL124103 0.88 L3MBTL1 (0.55) SIGMAR1L3MBTL1POLB
SCHEMBL6487168 0.87 FKBP1A (0.55) FKBP1AS1PR5L3MBTL1
Hydrochloric Acid SCHEMBL2858521 0.87 L3MBTL1 (0.54) SIGMAR1L3MBTL1POLB
SCHEMBL3120175 0.85 SIGMAR1 (0.54) FKBP1AAGTR2SIGMAR1
SCHEMBL2770293 0.83 FKBP1A (0.55) FKBP1APOLBSPHK1
SCHEMBL8343227 0.83 AGTR2 (0.61) AGTR2SIGMAR1S1PR5
SCHEMBL8409861 0.83 AGTR2 (0.61) AGTR2SIGMAR1S1PR5
SCHEMBL2864891 0.83 AGTR2 (0.61) AGTR2SIGMAR1S1PR5
SCHEMBL22620870 0.83 S1PR5 (0.47) SIGMAR1S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110139652-B ROR-gamma modulators 爱思凯利尔生物科学私人有限责任公司 2022-10-11 CN disclosed
US-20070161627-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2007-07-12 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-20070161627-A1 Antibacterial agents NQO2, NQO1, NDUFV2 FKBP1A 3162/4885AGTR2 3553/4885SIGMAR1 957/4885

“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.