SCHEMBL1799702

SCHEMBL1799702

COc1ccc2c(c1)C(OC(=O)N1CCN(C3CCN(C)CC3)CC1)(c1ccccc1OC(C)C)C(=O)N2S(=O)(=O)c1ccccc1OC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.42
ADRA1D P25100 8/20 0.42
ADRA1A P35348 8/20 0.42
ADRA1B P35368 8/20 0.42
AVPR1B P47901 8/20 0.38
OXTR P30559 2/20 0.38
AVPR1A P37288 2/20 0.38
AVPR2 P30518 1/20 0.38
GPR65 Q8IYL9 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 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
SCHEMBL1795727 0.97 DRD2 (0.42) DRD2ADRA1DADRA1AADRA1BAVPR1B
Hydrochloric Acid SCHEMBL1796945 0.97 DRD2 (0.41) DRD2ADRA1DADRA1AADRA1BAVPR1B
Hydrochloric Acid SCHEMBL1794245 0.95 DRD2 (0.39) DRD2ADRA1DADRA1AADRA1BAVPR1B
SCHEMBL1799421 0.94 DRD2 (0.41) DRD2ADRA1DADRA1AADRA1BAVPR1B
Hydrochloric Acid SCHEMBL1796763 0.94 DRD2 (0.39) DRD2ADRA1DADRA1AADRA1BAVPR1B
SCHEMBL1797246 0.94 KDM4E (0.41) DRD2ADRA1DADRA1AADRA1BAVPR1B
Hydrochloric Acid SCHEMBL1797583 0.92 DRD2 (0.41) DRD2ADRA1DADRA1AADRA1BAVPR1B
SCHEMBL2076486 0.92 DRD2 (0.38) DRD2ADRA1DADRA1AADRA1BAVPR1B
Hydrochloric Acid SCHEMBL1465079 0.91 DRD2 (0.37) DRD2ADRA1DADRA1AADRA1BAVPR1B
SCHEMBL1795567 0.91 ALDH1A1 (0.42) DRD2ADRA1DADRA1AADRA1BAVPR1B

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 DRD2 46/4885ADRA1D 31/4885ADRA1A 59/4885
US-20110257194-A1 SUBSTITUTED OXINDOL DERIVATIVES AND MEDICAMENTS CONTAINING THE SAME OXTR, AVPR2, AVPR1B DRD2 39/4885ADRA1D 41/4885ADRA1A 71/4885

“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.