SCHEMBL10244794

SCHEMBL10244794

CNC(=O)CC1CCCN1C

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.41
CHRNA7 P36544 3/20 0.41
CHRNA4 P43681 3/20 0.41
CHRNA5 P30532 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.38

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
SCHEMBL21801340 0.84 POLB (0.44) CHRNB2CHRNA7CHRNA4CHRNA5CYP1A2
SCHEMBL18134700 0.84 POLB (0.44) CHRNB2CHRNA7CHRNA4CHRNA5CYP1A2
SCHEMBL22277150 0.82 ACKR3 (0.45) CHRNB2CHRNA7CHRNA4CHRNA5ALDH1A1
SCHEMBL26184790 0.82 CHRNB2 (0.39) CHRNB2CHRNA7CHRNA4CHRNA5ALDH1A1
SCHEMBL336170 0.80 CHRNB2 (0.45) CHRNB2CHRNA7CHRNA4CHRNA5CYP1A2
SCHEMBL336171 0.80 CHRNB2 (0.45) CHRNB2CHRNA7CHRNA4CHRNA5CYP1A2
SCHEMBL18378505 0.80 ALDH1A1 (0.40) CHRNB2CHRNA7CHRNA4CHRNA5ALDH1A1
SCHEMBL18925122 0.80 ALDH1A1 (0.40) ALDH1A1
SCHEMBL12847892 0.79 ACKR3 (0.44) ALDH1A1CYP1A2
SCHEMBL18502527 0.79 MAPT (0.43) CHRNB2CHRNA7CHRNA4CHRNA5CYP1A2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093382-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-10 US disclosed
WO-2011073155-A1 NOVEL ANTAGONISTS FOR CCR2 AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-23 WO disclosed
WO-2011073154-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-23 WO disclosed
US-20110087022-A1 Dipeptidyl Peptidase Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
US-7872124-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-18 US disclosed
US-7595334-B2 N-(on SO2 ) (2-hydroxy-3-substituted aminopropyl)-substituted; inhibiting retroviral replication TIBOTEC PHARMACEUTICALS LTD. (IE) 2009-09-29 US disclosed
US-7244752-B2 N-(on SO2 ) (2-hydroxy-3-substituted aminopropyl)-substituted; inhibiting retroviral replication TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-07-17 US disclosed
US-20070135447-A1 N-(on SO2 ) (2-hydroxy-3-substituted aminopropyl)-substituted; inhibiting retroviral replication SURLERAUX DOMINIQUE LOUIS N G 2007-06-14 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-20110087022-A1 Dipeptidyl Peptidase Inhibitors DPP4, DPP3, DPP9 CHRNB2 3487/4885CHRNA7 3635/4885CHRNA4 1884/4885
US-20070135447-A1 N-(on SO2 ) (2-hydroxy-3-substituted aminopropyl)-substituted; inhibiting retroviral replication NR0B1, NR0B2, NR2C2 CHRNB2 769/4885CHRNA7 1129/4885CHRNA4 2044/4885

“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.