SCHEMBL1796113

SCHEMBL1796113

CCOc1ccccc1C1(OC(=O)N2CCN(C3CCN(C)CC3)CC2)C(=O)N(S(=O)(=O)c2ccc(C#N)cc2)c2ccc(F)cc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 7/20 0.39
SLC6A9 P48067 1/20 0.38
PSEN1 P49768 5/20 0.37
PSEN2 P49810 5/20 0.37
APH1B Q8WW43 5/20 0.37
NCSTN Q92542 5/20 0.37
APH1A Q96BI3 5/20 0.37
PSENEN Q9NZ42 5/20 0.37
APP P05067 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL1795337 0.96 AVPR1B (0.42) AVPR1BSLC6A9PSEN1PSEN2APH1B
SCHEMBL1798403 0.93 KDM4E (0.39) AVPR1BPSEN1PSEN2APH1BNCSTN
SCHEMBL1799057 0.93 AVPR1B (0.42) AVPR1BSLC6A9ALDH1A1KDM4ELMNA
SCHEMBL1800605 0.93 ALDH1A1 (0.40) AVPR1BPSEN1PSEN2APH1BNCSTN
SCHEMBL1795051 0.92 AVPR1B (0.42) AVPR1BSLC6A9ALDH1A1KDM4ELMNA
SCHEMBL1800246 0.91 AVPR1B (0.43) AVPR1BSLC6A9PSEN1PSEN2APH1B
SCHEMBL1796879 0.91 AVPR1B (0.49) AVPR1BALDH1A1KDM4E
SCHEMBL1795105 0.90 AVPR1B (0.41) AVPR1BSLC6A9ALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL1800411 0.90 ALDH1A1 (0.43) AVPR1BAPPALDH1A1KDM4ELMNA
SCHEMBL1794835 0.90 AVPR1B (0.42) AVPR1BSLC6A9

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 3/4885SLC6A9 3173/4885PSEN1 1714/4885
US-20110257194-A1 SUBSTITUTED OXINDOL DERIVATIVES AND MEDICAMENTS CONTAINING THE SAME OXTR, AVPR2, AVPR1B AVPR1B 3/4885SLC6A9 3301/4885PSEN1 2104/4885

“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.