SCHEMBL3308295

SCHEMBL3308295

COc1cccc(C(=O)N[C@@H]2CCN(C(=O)c3ccc4c(c3)CCN(C)C4)C2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.56
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
PDE4B Q07343 1/20 0.50
MCHR1 Q99705 3/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GFER P55789 1/20 0.48
GRM5 P41594 1/20 0.47
HSD11B1 P28845 1/20 0.47
MGLL Q99685 1/20 0.47
HDAC8 Q9BY41 1/20 0.45
DRD1 P21728 1/20 0.45
DRD5 P21918 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CCR3 P51677 1/20 0.45

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
SCHEMBL3308300 1.00 KDM5A (0.56) KDM5AALDH1A1TSHRPDE4BMCHR1
SCHEMBL3308282 0.91 KDM5A (0.55) KDM5AALDH1A1DRD1DRD5
SCHEMBL3308274 0.91 KDM5A (0.55) KDM5AALDH1A1DRD1DRD5
SCHEMBL3307385 0.87 KDM5A (0.55) KDM5APDE4BGRM5MGLLNPC1
SCHEMBL3307390 0.87 KDM5A (0.55) KDM5APDE4BGRM5MGLLNPC1
SCHEMBL3311825 0.83 KDM5A (0.54) KDM5AMCHR1
SCHEMBL3311823 0.83 KDM5A (0.54) KDM5AMCHR1
SCHEMBL3306278 0.81 CCNK (0.49) ALDH1A1PDE4BMCHR1HDAC8
SCHEMBL3306286 0.81 CCNK (0.49) ALDH1A1PDE4BMCHR1HDAC8
SCHEMBL13395041 0.80 CCNK (0.43) ALDH1A1TSHRLMNAMAPTSMN1; 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 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
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
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
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
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
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 KDM5A 2241/4885ALDH1A1 562/4885TSHR 1262/4885

“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.