SCHEMBL3300853

SCHEMBL3300853

C[C@@H]1Cc2cc(C(=O)O)ccc2CN1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
AKR1C3 P42330 1/20 0.46
ALDH1A1 P00352 3/20 0.45
NAMPT P43490 2/20 0.41
SRD5A2 P31213 2/20 0.41
KDM4E B2RXH2 3/20 0.40
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
NR4A1 P22736 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HDAC6 Q9UBN7 2/20 0.38
HDAC8 Q9BY41 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 1/20 0.38
SRD5A1 P18405 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL3300861 1.00 TDP1 (0.48) TDP1AKR1C3ALDH1A1NAMPTSRD5A2
SCHEMBL4428249 0.78 OPRM1 (0.41) AKR1C3
SCHEMBL17957906 0.77 RARA (0.46) TDP1ALDH1A1SRD5A2MEN1MAPK1
SCHEMBL17957909 0.77 RARA (0.46) TDP1ALDH1A1SRD5A2MEN1MAPK1
SCHEMBL23395308 0.76 TDP1 (0.41) TDP1AKR1C3ALDH1A1NAMPTSRD5A2
SCHEMBL3313453 0.76 ALDH1A1 (0.53) TDP1ALDH1A1NAMPTSRD5A2KDM4E
SCHEMBL3307885 0.76 ALDH1A1 (0.47) TDP1AKR1C3ALDH1A1SRD5A2KDM4E
SCHEMBL3307888 0.76 ALDH1A1 (0.47) TDP1AKR1C3ALDH1A1SRD5A2KDM4E
SCHEMBL30822564 0.76 TDP1 (0.40) TDP1AKR1C3ALDH1A1NAMPTSRD5A2
SCHEMBL3441213 0.75 HTR2C (0.49) ALDH1A1NAMPTKDM4EPOLBHSD17B10

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 9 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-2008135524-A2 SUBSTITUTED ANTHRANILAMIDES AND ANALOGUES, MANUFACTURING AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-13 WO disclosed
WO-2008135526-A1 CARBOXYLIC ACID AMIDES AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-13 WO disclosed
WO-2008135524-A2 SUBSTITUTED ANTHRANILAMIDES AND ANALOGUES, MANUFACTURING AND USE THEREOF AS MEDICAMENTS 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
EP-1975165-A1 Substituted pyrrolidinamides, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-10-01 EP 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 TDP1 434/4885AKR1C3 904/4885ALDH1A1 562/4885

“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.