SCHEMBL2563051

SCHEMBL2563051

CCOC(=O)c1cn(CCNC(=O)OC(C)(C)C)c(C(=O)OCC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ DRD2 P14416 6/20 0.40
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HPGD P15428 1/20 0.35
▸ PTPRB P23467 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL2556166 0.77 DPP4 (0.40) KDM4EMAPTHPGDALDH1A1KMT2A
SCHEMBL24213508 0.76 KDM4E (0.40) CRHBPCRHR2DRD2ADORA3ADORA2A
SCHEMBL29324305 0.74 CNR1 (0.48) CRHBPCRHR2KDM4EALDH1A1
SCHEMBL31728774 0.72 ALDH1A1 (0.44) CRHBPCRHR2DRD2ADORA3ADORA2A
SCHEMBL6835329 0.72 MKNK2 (0.41) CRHBPCRHR2KDM4EMAPTALDH1A1
SCHEMBL18839177 0.72 ADORA3 (0.38) DRD2ADORA3ADORA2AKDM4EMAPT
SCHEMBL31518572 0.72 ADORA3 (0.43) CRHBPCRHR2DRD2ADORA3ADORA2A
SCHEMBL22759722 0.72 CPB2 (0.41) DRD2KDM4EMAPTNPSR1ALDH1A1
SCHEMBL28343486 0.72 CAMK2D (0.40) CRHBPCRHR2DRD2ADORA3ADORA2A
SCHEMBL13008033 0.72 LMNA (0.50) CRHBPCRHR2KDM4EMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716293-B2 Macrocyclic integrase inhibitors JANSSEN R&D IRELAND (IE) 2014-05-06 — — US disclosed
US-8716293-B2 Macrocyclic integrase inhibitors JANSSEN R&D IRELAND (IE) 2014-05-06 — — US disclosed
US-8716293-B2 Macrocyclic integrase inhibitors JANSSEN R&D IRELAND (IE) 2014-05-06 — — US disclosed
EP-2552923-B1 MACROCYCLIC INTEGRASE INHIBITORS JANSSEN R & D IRELAND (IE) 2014-03-26 — — EP disclosed
US-20130035341-A1 MACROCYCLIC INTEGRASE INHIBITORS JANSSEN R&D IRELAND (IE) 2013-02-07 — — US disclosed
US-20130035341-A1 MACROCYCLIC INTEGRASE INHIBITORS JANSSEN R&D IRELAND (IE) 2013-02-07 — — US disclosed
US-20130035341-A1 MACROCYCLIC INTEGRASE INHIBITORS JANSSEN R&D IRELAND (IE) 2013-02-07 — — US disclosed
EP-2552923-A1 MACROCYCLIC INTEGRASE INHIBITORS Janssen R&D Ireland (IE) 2013-02-06 — — EP disclosed
WO-2011121105-A1 MACROCYCLIC INTEGRASE INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2011-10-06 — — WO 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-20130035341-A1 MACROCYCLIC INTEGRASE INHIBITORS TYMP, PIM1, TYMS CRHBP 4171/4885CRHR2 4836/4885DRD2 4284/4885

“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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