SCHEMBL12639955

SCHEMBL12639955

CCN(C[C@H](N)C(=O)OC)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.51
▸ CNR2 P34972 2/20 0.46
▸ KMT2A Q03164 5/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ NOX1 Q9Y5S8 1/20 0.45
▸ KIF11 P52732 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ NPY1R P25929 1/20 0.42
▸ NPY2R P49146 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ NR1H2 P55055 1/20 0.41
▸ NR1H3 Q13133 1/20 0.41
▸ ESRRG P62508 1/20 0.40

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
SCHEMBL12961529 1.00 LTA4H (0.51) LTA4HCNR2KMT2AMEN1NPC1
SCHEMBL2703155 0.83 LTA4H (0.51) LTA4HKMT2AKIF11
SCHEMBL2703603 0.83 LTA4H (0.51) LTA4HKMT2AKIF11
SCHEMBL12639958 0.82 MEN1 (0.49) LTA4HCNR2KMT2AMEN1NPC1
SCHEMBL12639957 0.81 PKM (0.44) CNR2KMT2AMEN1NPC1RAB9A
SCHEMBL2035268 0.78 KMT2A (0.42) LTA4HCNR2KMT2AMEN1NPC1
SCHEMBL12961615 0.76 TSHR (0.47) CNR2KMT2AMEN1NPC1RAB9A
SCHEMBL15012267 0.75 LTA4H (0.45) LTA4HKMT2AKIF11ALDH1A1
SCHEMBL15012266 0.75 LTA4H (0.45) LTA4HKMT2AKIF11ALDH1A1
SCHEMBL15012672 0.75 LTA4H (0.45) LTA4HKMT2AKIF11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105427-A1 DEAZAPURINES AND USES THEREOF DAUN JANE 2011-05-05 — — US disclosed
US-7868002-B2 Deazapurines and uses thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-11 — — US disclosed
US-20080103137-A1 Deazapurines and uses thereof EISAI CO., LTD. 2008-05-01 — — US disclosed
US-7314936-B2 Deazapurines and uses thereof EISAI CO., LTD. (JP) 2008-01-01 — — 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-20110105427-A1 DEAZAPURINES AND USES THEREOF TPMT, CD38, CD2 LTA4H 1466/4885CNR2 1799/4885KMT2A 1590/4885
US-20080103137-A1 Deazapurines and uses thereof TPMT, TYMP, ENTPD5 LTA4H 557/4885CNR2 3267/4885KMT2A 963/4885

“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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