SCHEMBL21476013

SCHEMBL21476013

CC(CN(C)C)c1ccn(C(C)C)c(=O)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.42
▸ ACACB O00763 1/20 0.35
▸ AOC3 Q16853 1/20 0.33
▸ HTR2A P28223 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ AOC2 O75106 1/20 0.32
▸ PBK Q96KB5 6/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ RAB9A P51151 1/20 0.31
▸ MCHR1 Q99705 1/20 0.31
▸ NEK1 Q96PY6 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HIF1A Q16665 1/20 0.30

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
SCHEMBL21476003 0.86 PTGS2 (0.46) PTGS2ACACBHTR2AHRH1AOC2
SCHEMBL21484164 0.81 ACACB (0.36) PTGS2ACACBAOC3HTR2AHRH1
SCHEMBL11317932 0.78 PTGS2 (0.49) PTGS2ACACBTDP1ALDH1A1MAPT
SCHEMBL1106467 0.69 KDM4E (0.39) PTGS2ACACBAOC2ALDH1A1
SCHEMBL23266882 0.68 PTGS2 (0.44) PTGS2ACACBAOC2RAB9AALDH1A1
SCHEMBL26901678 0.68 PDPK1 (0.39) AOC3HTR2AHRH1TDP1RAB9A
SCHEMBL26007774 0.68 PTGS2 (0.46) PTGS2TDP1ALDH1A1MAPTHTT
SCHEMBL17014806 0.67 PTGS2 (0.41) PTGS2ACACBAOC2
SCHEMBL12890143 0.67 PTGS2 (0.41) PTGS2ACACBAOC2ALDH1A1MAPT
SCHEMBL589332 0.67 PTGS2 (0.38) PTGS2ACACBAOC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759756-B2 Antagonists of human integrin α4β7 MORPHIC THERAPEUTIC, INC. (US) 2020-09-01 — — US disclosed
WO-2019200202-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. (US) 2019-10-17 — — WO disclosed
US-20190315692-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2019-10-17 — — 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 (2 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-20190315692-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 PTGS2 4366/4885ACACB 4201/4885AOC3 3581/4885
US-10759756-B2 Antagonists of human integrin α4β7 ITGB7, ITGB4, ITGA4 PTGS2 4438/4885ACACB 3915/4885AOC3 4293/4885

“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.

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