SCHEMBL8237755

SCHEMBL8237755

CN1CCCC[C@H]1c1ncco1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.45
CHRNA4 P43681 5/20 0.45
CHRNA7 P36544 4/20 0.45
CHRM2 P08172 3/20 0.45
CHRM4 P08173 3/20 0.45
CHRM5 P08912 3/20 0.45
CHRM1 P11229 3/20 0.45
CHRM3 P20309 3/20 0.45
ALDH1A1 P00352 3/20 0.40
ACHE P22303 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CHRNB4 P30926 3/20 0.40
CHRNA3 P32297 3/20 0.40
CHRNA2 Q15822 2/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
PSIP1 O75475 1/20 0.40
TRPA1 O75762 1/20 0.40
HTR3B O95264 1/20 0.40

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
SCHEMBL8236724 0.95 CHRM2 (0.50) CHRNB2CHRNA4CHRNA7CHRM2CHRM4
SCHEMBL14235835 0.95 CHRM2 (0.50) CHRNB2CHRNA4CHRNA7CHRM2CHRM4
SCHEMBL14235836 0.95 CHRM2 (0.50) CHRNB2CHRNA4CHRNA7CHRM2CHRM4
SCHEMBL2571302 0.75 SCD5 (0.47)
SCHEMBL14213445 0.74 SCD5 (0.36) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL14213444 0.74 SCD5 (0.36) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL13180376 0.74 SCD5 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13145789 0.74 SCD5 (0.36) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL14213447 0.74 SCD5 (0.36) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL13085313 0.70 GAA (0.38)

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-9006276-B2 Substituted oxindole derivatives, medicaments containing said derivatives and use thereof AbbVie Deutschland GmbH & Co. KG (DE) 2015-04-14 US disclosed
US-20130029966-A1 SUBSTITUTED OXINDOLE DERIVATIVES, MEDICAMENTS CONTAINING SAID DERIVATIVES AND USE THEREOF ABBOTT GMBH & CO. KG (DE) 2013-01-31 US disclosed
US-8044079-B2 Substituted oxindole derivatives, medicaments containing said derivatives and use thereof ABBOTT GMBH & CO. KG (DE) 2011-10-25 US disclosed
US-20100273766-A1 SUBSTITUTED OXINDOL DERIVATIVES, MEDICAMENTS CONTAINING SAID DERIVATIVES AND USE THEREOF ABBOTT GMBH & CO. KG (DE) 2010-10-28 US disclosed
WO-2007063123-A1 SUBSTITUTED OXINDOL-DERIVATIVES, MEDICAMENTS CONTAINING SAID DERIVATIVES AND USE THEREOF ABBOTT GMBH & CO. KG (DE) 2007-06-07 WO 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-20130029966-A1 SUBSTITUTED OXINDOLE DERIVATIVES, MEDICAMENTS CONTAINING SAID DERIVATIVES AND USE THEREOF AVPR2, AVPR1B, AVPR1A CHRNB2 3020/4885CHRNA4 3526/4885CHRNA7 3234/4885
US-20100273766-A1 SUBSTITUTED OXINDOL DERIVATIVES, MEDICAMENTS CONTAINING SAID DERIVATIVES AND USE THEREOF AVPR2, AVPR1B, AVPR1A CHRNB2 3081/4885CHRNA4 3702/4885CHRNA7 3829/4885

“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.