SCHEMBL4878608

SCHEMBL4878608

C[C@@H]1CC(N2CCC(c3ccccc3)CC2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTRA1 Q92743 1/20 0.46
▸ AGTR2 P50052 3/20 0.45
▸ GRIN2B Q13224 3/20 0.45
▸ NAMPT P43490 1/20 0.43
▸ HCRTR2 O43614 1/20 0.43
▸ SLC18A3 Q16572 4/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GPR119 Q8TDV5 1/20 0.40
▸ NR1H2 P55055 2/20 0.40
▸ NR1H3 Q13133 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ LMNA P02545 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
SCHEMBL4074855 1.00 HTRA1 (0.46) HTRA1AGTR2GRIN2BNAMPTHCRTR2
SCHEMBL27764385 0.84 GRIN2B (0.51) AGTR2GRIN2BSLC18A3KDM4EALDH1A1
SCHEMBL15730092 0.84 HTRA1 (0.53) HTRA1NAMPTHCRTR2GPR119NR1H2
SCHEMBL15730122 0.84 HTRA1 (0.53) HTRA1NAMPTHCRTR2GPR119NR1H2
SCHEMBL4206100 0.84 HTRA1 (0.53) HTRA1NAMPTHCRTR2GPR119NR1H2
SCHEMBL4196684 0.84 HTRA1 (0.53) HTRA1NAMPTHCRTR2GPR119NR1H2
SCHEMBL18853751 0.84 HTRA1 (0.53) HTRA1NAMPTHCRTR2GPR119NR1H2
SCHEMBL24700140 0.83 NAMPT (0.46) HTRA1NAMPTHCRTR2SLC18A3KDM4E
SCHEMBL24700143 0.80 HCRTR2 (0.47) HTRA1NAMPTHCRTR2GPR119NR1H2
SCHEMBL4077656 0.80 NAMPT (0.54) GRIN2BNAMPTKDM4EALDH1A1GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 — — US disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 — — 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 (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-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone MIF, CCL5, CCR2 HTRA1 1549/4885AGTR2 280/4885GRIN2B 2662/4885

“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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