SCHEMBL1799000

SCHEMBL1799000

CCCN1CCN(C2CCN(C(=O)NC3(c4ccccc4OCC)C(=O)N(S(=O)(=O)c4ccccc4)c4ccc(C#N)cc43)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 11/20 0.40
ALK Q9UM73 2/20 0.35
HRH1 P35367 1/20 0.34
CCR3 P51677 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL1800280 0.96 AVPR1B (0.40) AVPR1BALKALDH1A1LMNA
SCHEMBL1795924 0.95 AVPR1B (0.40) AVPR1BALKHRH1CCR3
SCHEMBL1794551 0.94 AVPR1B (0.47) AVPR1BKDM4EALDH1A1LMNA
SCHEMBL1797741 0.94 AVPR1B (0.41) AVPR1BALKHRH1CCR3
SCHEMBL1795847 0.92 AVPR1B (0.47) AVPR1BALKHRH1CCR3KDM4E
Hydrochloric Acid SCHEMBL1799558 0.92 AVPR1B (0.40) AVPR1BALK
SCHEMBL1795562 0.91 AVPR1B (0.41) AVPR1BALK
SCHEMBL15911642 0.91 AVPR1B (0.41) AVPR1B
SCHEMBL1794767 0.91 AVPR1B (0.40) AVPR1BALKHRH1CCR3KDM4E
SCHEMBL1798932 0.90 AVPR1B (0.41) AVPR1BALKALDH1A1LMNA

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
US-8338590-B2 Substituted oxindole derivatives and medicaments containing the same ABBOTT GMBH & CO. KG (DE) 2012-12-25 US disclosed
US-20110257194-A1 SUBSTITUTED OXINDOL DERIVATIVES AND MEDICAMENTS CONTAINING THE SAME ABBOTT GMBH & CO. KG (DE) 2011-10-20 US disclosed
US-7951807-B2 Substituted oxindol derivatives and medicaments containing the same ABBOTT GMBH & CO. KG (DE) 2011-05-31 US disclosed
US-20090005397-A1 Substituted Oxindol Derivatives and Medicaments Containing the Same ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2009-01-01 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 (2 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-20090005397-A1 Substituted Oxindol Derivatives and Medicaments Containing the Same OXTR, AVPR2, AVPR1B AVPR1B 3/4885ALK 4873/4885HRH1 148/4885
US-20110257194-A1 SUBSTITUTED OXINDOL DERIVATIVES AND MEDICAMENTS CONTAINING THE SAME OXTR, AVPR2, AVPR1B AVPR1B 3/4885ALK 4851/4885HRH1 118/4885

“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.