SCHEMBL1207488

SCHEMBL1207488

COC(=O)[C@@H]1CCCN1C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
PEPD P12955 2/20 0.38
FKBP1A P62942 4/20 0.37
ALOX5 P09917 1/20 0.36
XPNPEP1 Q9NQW7 1/20 0.35
CASP3 P42574 1/20 0.35
CNR1 P21554 3/20 0.34
CNR2 P34972 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MMP3 P08254 1/20 0.34
LTA4H P09960 1/20 0.33

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
SCHEMBL17001994 1.00 POLB (0.41) POLBPEPDFKBP1AALOX5XPNPEP1
SCHEMBL2913398 0.88 POLB (0.46) POLBPEPDFKBP1AXPNPEP1CNR1
SCHEMBL2913400 0.88 POLB (0.46) POLBPEPDFKBP1AXPNPEP1CNR1
Trifluoroacetic Acid SCHEMBL20292252 0.85 FKBP1A (0.38) POLBPEPDFKBP1ACNR1CNR2
SCHEMBL24434718 0.85 POLB (0.44) POLBFKBP1ACNR1CNR2SMN1; SMN2
SCHEMBL1207252 0.83 FKBP1A (0.42) POLBFKBP1ASMN1; SMN2
SCHEMBL24928818 0.83 POLB (0.42) POLBPEPDFKBP1AXPNPEP1CNR1
SCHEMBL20669373 0.83 POLB (0.42) POLBPEPDFKBP1AALOX5XPNPEP1
SCHEMBL12881541 0.82 FKBP1A (0.44) POLBPEPDFKBP1AXPNPEP1CASP3
SCHEMBL20909019 0.82 FKBP1A (0.44) POLBPEPDFKBP1AXPNPEP1CASP3

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-20110034444-A1 SELECTED CGRP ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-10 US disclosed
US-7858622-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-28 US disclosed
US-20100004228-A1 SELECTED CGRP ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-07 US disclosed
US-7579341-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-25 US disclosed
US-20070049581-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-01 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 (3 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-20100004228-A1 SELECTED CGRP ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS CALCRL, CALCR, CALCA POLB 2511/4885PEPD 462/4885FKBP1A 2848/4885
US-20070049581-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA POLB 2511/4885PEPD 462/4885FKBP1A 2848/4885
US-20110034444-A1 SELECTED CGRP ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS CALCRL, CALCR, CALCA POLB 2511/4885PEPD 462/4885FKBP1A 2848/4885

“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.