SCHEMBL22157461

SCHEMBL22157461

O=C1CCN(C(=O)O)C1Cc1cccc(-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.44
NAAA Q02083 1/20 0.44
HCRTR1 O43613 4/20 0.39
HCRTR2 O43614 4/20 0.39
AOC3 Q16853 3/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
IDH1 O75874 1/20 0.37
BCL2 P10415 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP12 P39900 1/20 0.36

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
SCHEMBL22157479 0.92 FAAH (0.43) FAAHNAAAHCRTR1HCRTR2AOC3
SCHEMBL349926 0.87 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22157508 0.84 MMP2 (0.41) FAAHMMP2
SCHEMBL20701707 0.84 NR1H2 (0.48)
SCHEMBL29897564 0.84 NR1H2 (0.48)
SCHEMBL20708968 0.84 NR1H2 (0.48)
SCHEMBL5747840 0.79 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23459101 0.78 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL6998893 0.78 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1643401 0.77 MTNR1B (0.48) POLB

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-20200207715-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-07-02 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-20200207715-A1 HETEROCYCLIC COMPOUND AND USE THEREOF HCRTR2, HCRTR1, CNR2 FAAH 213/4885NAAA 1114/4885HCRTR1 2/4885

“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.