SCHEMBL3465076

SCHEMBL3465076

NC(=O)C[CH]C1CCCN(C(N)=O)C1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 2/20 0.33
CPN1 P15169 1/20 0.33
CPB2 Q96IY4 1/20 0.33
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
GLA P06280 1/20 0.30
HSD17B10 Q99714 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3466906 0.87 ALDH1A1 (0.35) ALDH1A1MAPK1LMNACPN1CPB2
SCHEMBL3465966 0.80 SMN1; SMN2 (0.39) ALDH1A1MAPK1POLBSMN1; SMN2
SCHEMBL6826993 0.79 ALDH1A1 (0.34) ALDH1A1MAPK1LMNACPN1CPB2
SCHEMBL3464891 0.79 GAA (0.33) CPN1CPB2
SCHEMBL3465273 0.75 TSHR (0.43) ALDH1A1MAPK1MEN1POLBKMT2A
SCHEMBL5908925 0.74 GRIK1 (0.37) ALDH1A1POLB
SCHEMBL15774971 0.70 ITGB3 (0.39) ALDH1A1MAPK1LMNACPN1CPB2
SCHEMBL3465332 0.69 EPHX2 (0.38) SMN1; SMN2
SCHEMBL12668009 0.69 CA12 (0.52) ALDH1A1MAPK1MAPTKMT2ASMN1; SMN2
SCHEMBL4598450 0.69 CA12 (0.52) ALDH1A1MAPK1MAPTKMT2ASMN1; SMN2

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
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 ALDH1A1 523/4885MAPK1 973/4885LMNA 4848/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 ALDH1A1 268/4885MAPK1 410/4885LMNA 3632/4885

“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.