SCHEMBL2288684

SCHEMBL2288684

CSc1nc(Cl)c(C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)c(Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 1/20 0.43
▸ FPR3 P25089 1/20 0.42
▸ FPR2 P25090 1/20 0.42
▸ IL1B P01584 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TSHR P16473 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PDE7B Q9NP56 1/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ SCN3A Q9NY46 1/20 0.39
▸ AHCY P23526 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ P2RX7 Q99572 1/20 0.39
▸ APP P05067 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ DRD2 P14416 1/20 0.39

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
SCHEMBL2288690 1.00 OPRD1 (0.43) OPRD1FPR3FPR2IL1BALDH1A1
SCHEMBL15142039 0.78 ALDH1A1 (0.36) ALDH1A1TSHRLMNAPDE7BMEN1
SCHEMBL15142037 0.78 ALDH1A1 (0.36) ALDH1A1TSHRLMNAPDE7BMEN1
SCHEMBL18335815 0.77 F2RL3 (0.44) OPRD1FPR3FPR2IL1BALDH1A1
SCHEMBL18337904 0.77 F2RL3 (0.44) OPRD1FPR3FPR2IL1BALDH1A1
SCHEMBL18335816 0.77 F2RL3 (0.44) OPRD1FPR3FPR2IL1BALDH1A1
SCHEMBL28153227 0.76 KDM1A (0.50) OPRD1FPR3FPR2IL1BALDH1A1
SCHEMBL1483725 0.75 OPRD1 (0.51) OPRD1FPR3FPR2ALDH1A1SMN1; SMN2
SCHEMBL3447934 0.74 ACKR3 (0.52) OPRD1FPR3FPR2IL1BALDH1A1
SCHEMBL337877 0.74 OPRD1 (0.48) OPRD1FPR3FPR2IL1BALDH1A1

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
EP-2163554-B1 PYRIMIDODIAZEPINONE DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2012-08-01 — — EP disclosed
US-7998954-B2 Pyrimidodiazepinone derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-16 — — US disclosed
US-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2010-07-29 — — US disclosed
EP-2163554-A1 PYRIMIDODIAZEPINONE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2010-03-17 — — EP 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-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KCNJ1, KCNJ11, ADRA1D OPRD1 21/4885FPR3 2835/4885FPR2 2795/4885

“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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