SCHEMBL4213804

SCHEMBL4213804

O=C(O)c1cccc([C@@H]2CCNC2)c1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.67
JAK3 P52333 1/20 0.50
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
PRMT5 O14744 1/20 0.46
HTR2C P28335 1/20 0.45

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
SCHEMBL21139931 1.00 KMO (0.67) KMOJAK3DRD2DRD3PRMT5
SCHEMBL19465286 0.92 KMO (0.69) KMODRD2DRD3
SCHEMBL1633310 0.90 KMO (0.71) KMOHTR2C
Hydrochloric Acid SCHEMBL6709116 0.89 KMO (0.69) KMOHTR2C
SCHEMBL13406411 0.88 KMO (0.72) KMODRD2DRD3HTR2C
SCHEMBL13406410 0.88 KMO (0.72) KMODRD2DRD3HTR2C
SCHEMBL30344892 0.86 PARP1 (0.53) KMOJAK3DRD2DRD3PRMT5
Hydrochloric Acid SCHEMBL28155975 0.85 PARP1 (0.51) KMOJAK3DRD2DRD3PRMT5
Hydrochloric Acid SCHEMBL28155974 0.85 PARP1 (0.51) KMOJAK3DRD2DRD3PRMT5
SCHEMBL347728 0.82 HTR2C (0.48) JAK3HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062322-A1 Novel Tricyclic Spiropiperidines or Spiropyrrolidines ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090048238-A1 NOVEL BIARYL DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-02-19 US disclosed
US-7449475-B2 Tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2008-11-11 US disclosed
EP-1521757-B1 TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES ASTRAZENECA AB (SE) 2008-01-30 EP disclosed
US-20050245741-A1 Novel tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2005-11-03 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 (3 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-20090062322-A1 Novel Tricyclic Spiropiperidines or Spiropyrrolidines REN, TACR1, AGTR1 KMO 4484/4885JAK3 4019/4885DRD2 20/4885
US-20050245741-A1 Novel tricyclic spiropiperidines or spiropyrrolidines REN, TACR1, AGTR1 KMO 4529/4885JAK3 4095/4885DRD2 22/4885
US-20090048238-A1 NOVEL BIARYL DERIVATIVES CCR3, CCRL2, CCR2 KMO 1845/4885JAK3 667/4885DRD2 505/4885

“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.