SCHEMBL1938457

SCHEMBL1938457

COC(=O)C1CN(C(C)(C)C)CCN1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 6/20 0.46
▸ ATM Q13315 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ADRA1D P25100 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ ADRA1B P35368 1/20 0.31
▸ DPP4 P27487 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL12312783 0.83 CCR2 (0.43) CCR2ATMKDM4EADRA1DADRA1A
SCHEMBL12312791 0.81 CCR2 (0.43) CCR2ATMDPP4
SCHEMBL12312784 0.80 CCR2 (0.43) CCR2ATMADRA1DADRA1AADRA1B
SCHEMBL18806175 0.79 CCR2 (0.42) CCR2ATM
SCHEMBL5695525 0.79 CCR2 (0.42) CCR2ATM
SCHEMBL18820343 0.79 CCR2 (0.42) CCR2ATM
SCHEMBL12312782 0.79 CCR2 (0.42) CCR2ADRA1DADRA1AADRA1B
SCHEMBL13779919 0.77 CCR2 (0.40) CCR2
SCHEMBL15285280 0.77 CCR2 (0.40) CCR2
SCHEMBL6141965 0.77 CCR2 (0.40) CCR2

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
EP-2185561-B1 1,2,3,4-tetrahydropyrrolo(1,2-a)pyrazine-6-carboxamide and 2,3,4,5-tetrahydropyrrolo(1,2-a)-diazepine-7-carboxamide derivatives, preparation and therapeutic use thereof SANOFI AVENTIS (FR) 2011-06-15 — — EP disclosed
US-20100197668-A1 1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZINE-6-CARBOXAMIDE AND 2,3,4,5-TETRAHYDROPYRROLO[1,2-a][1,4]-DIAZEPINE-7-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 — — US disclosed
CN-101765601-A 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide and 2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]-diazepine-7-carboxamide derivatives, preparation and therapeutic use thereof SANOFI AVENTIS 2010-06-30 — — CN 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-20100197668-A1 1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZINE-6-CARBOXAMIDE AND 2,3,4,5-TETRAHYDROPYRROLO[1,2-a][1,4]-DIAZEPINE-7-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF CNR2, GRIK5, CNR1 CCR2 1162/4885ATM 4858/4885SMN1; SMN2 1187/4885

“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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