Sugi Predict

Sugi Predict / Compounds / SCHEMBL1799294

SCHEMBL1799294

SCHEMBL1799294

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AVPR1B P47901 10/20 0.38
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ OXTR P30559 4/20 0.35
▸ AVPR1A P37288 4/20 0.35
▸ TRPV4 Q9HBA0 1/20 0.35
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ DRD1 P21728 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ DRD2 P14416 1/20 0.34

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
Hydrochloric Acid SCHEMBL1799722 0.92 AVPR1B (0.39) AVPR1BKDM4EALDH1A1SMN1; SMN2OXTR
Hydrochloric Acid SCHEMBL1799558 0.92 AVPR1B (0.40) AVPR1BPOLB
SCHEMBL1797049 0.91 MAPT (0.36) AVPR1BKDM4EALDH1A1SMN1; SMN2OXTR
SCHEMBL1799424 0.91 AVPR1B (0.43) AVPR1BKDM4EALDH1A1OXTRAVPR1A
SCHEMBL1796677 0.91 AVPR1B (0.48) AVPR1BKDM4EALDH1A1
SCHEMBL1797741 0.90 AVPR1B (0.41) AVPR1BPOLB
SCHEMBL1799061 0.88 AVPR1B (0.48) AVPR1BKDM4EALDH1A1
SCHEMBL1465380 0.88 BRD4 (0.36) AVPR1BKDM4EALDH1A1SMN1; SMN2OXTR
Hydrochloric Acid SCHEMBL1796072 0.88 AVPR1B (0.44) AVPR1BKDM4EALDH1A1SMN1; SMN2OXTR
SCHEMBL1796590 0.88 AVPR1B (0.43) AVPR1BOXTRAVPR1ADRD2

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 3/4885KDM4E 4081/4885ALDH1A1 917/4885
US-20110257194-A1 SUBSTITUTED OXINDOL DERIVATIVES AND MEDICAMENTS CONTAINING THE SAME OXTR, AVPR2, AVPR1B AVPR1B 3/4885KDM4E 4261/4885ALDH1A1 814/4885

“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.