SCHEMBL3310783

SCHEMBL3310783

CN1CCn2nc(C(=O)O)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.41
GRM5 P41594 7/20 0.37
POLB P06746 1/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
KDM4C Q9H3R0 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RIPK1 Q13546 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32

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
SCHEMBL24811454 0.90 HDAC6 (0.38) HDAC6GRM5POLBCYP4F2CYP4A11
SCHEMBL30703833 0.85 HDAC6 (0.41) HDAC6GRM5ROCK2ROCK1ALDH1A1
SCHEMBL26089064 0.83 HDAC6 (0.44) HDAC6ROCK2ROCK1ALDH1A1SMN1; SMN2
SCHEMBL25412001 0.80 GRM5 (0.46) HDAC6GRM5CYP4F2CYP4A11
SCHEMBL31607767 0.77 HDAC6 (0.36) HDAC6GRM5POLBCYP4F2CYP4A11
SCHEMBL26374613 0.76 HDAC6 (0.37) HDAC6RIPK1
SCHEMBL31739702 0.74 GRM5 (0.38) HDAC6GRM5CYP4F2CYP4A11RIPK1
SCHEMBL24537657 0.74 HDAC6 (0.36) HDAC6GRM5RIPK1
SCHEMBL12335631 0.74 NR1H2 (0.46) HDAC6GRM5POLBCYP4F2CYP4A11
SCHEMBL1815818 0.73 KMO (0.42) POLBALDH1A1RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309542-B2 Substituted pyrrolidine amides, the production thereof, and the use thereof as medications BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-13 US disclosed
EP-2132193-B1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INT (DE) 2012-10-24 EP disclosed
US-20100099664-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 US disclosed
EP-2132193-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS Boehringer Ingelheim International GmbH (DE) 2009-12-16 EP disclosed
WO-2008135526-A1 CARBOXYLIC ACID AMIDES AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-13 WO disclosed
WO-2008116881-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-02 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 (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-20100099664-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS DDC, GLS, UROD HDAC6 2754/4885GRM5 296/4885POLB 1082/4885

“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.