SCHEMBL3852873

SCHEMBL3852873

O=C(O)N1CCCC1c1nnn[nH]1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.33
PEPD P12955 1/20 0.32
XPNPEP1 Q9NQW7 1/20 0.32
HCRTR1 O43613 3/20 0.32
HCRTR2 O43614 3/20 0.32
POLB P06746 1/20 0.32
CPT2 P23786 1/20 0.31
CPT1A P50416 1/20 0.31
EPHX2 P34913 2/20 0.31
PRCP P42785 1/20 0.31
SCD5 Q86SK9 3/20 0.30
SCD O00767 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
SCHEMBL5314180 1.00 RIPK1 (0.33) RIPK1PEPDXPNPEP1HCRTR1HCRTR2
SCHEMBL17457535 0.89 PEPD (0.33) RIPK1PEPDXPNPEP1HCRTR1HCRTR2
SCHEMBL19083795 0.88 TP53 (0.36) PEPDXPNPEP1
SCHEMBL19075663 0.82 RIPK1 (0.51) RIPK1PEPDXPNPEP1PRCP
SCHEMBL8885712 0.82 RIPK1 (0.36) RIPK1HCRTR1HCRTR2PRCP
SCHEMBL1357634 0.80 ALDH1A1 (0.49)
SCHEMBL1357636 0.80 ALDH1A1 (0.49)
SCHEMBL14407820 0.77 EPHX2 (0.40) RIPK1EPHX2PRCP
SCHEMBL672317 0.76 TMEM97 (0.49)
SCHEMBL13246605 0.76 TMEM97 (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288371-B2 Ortho pyrrolidine, benzyl-substituted heterocycle CCR1 antagonists for autoimmune diseases and inflammation PHARMACOPEIA, LLC (US) 2012-10-16 US disclosed
US-20090093472-A1 ORTHO PYRROLIDINE, BENZYL-SUBSTITUTED HETEROCYCLE CCR1 ANTAGONISTS FOR AUTOIMMUNE DISEASES & INFLAMMATION PHARMACOPEIA, INC. (US) 2009-04-09 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 (1 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-20090093472-A1 ORTHO PYRROLIDINE, BENZYL-SUBSTITUTED HETEROCYCLE CCR1 ANTAGONISTS FOR AUTOIMMUNE DISEASES & INFLAMMATION CCR1, CCR4, CCR3 RIPK1 1177/4885PEPD 1144/4885XPNPEP1 360/4885

“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.