SCHEMBL2947992

SCHEMBL2947992

COC(=O)c1ccc2c(ccn2CCC(C)(C)N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
APOBEC3A P31941 1/20 0.46
HSD17B10 Q99714 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45
HDAC8 Q9BY41 5/20 0.45
HDAC6 Q9UBN7 5/20 0.45
HDAC11 Q96DB2 1/20 0.45
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43

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
SCHEMBL2950619 0.90 SMN1; SMN2 (0.57) KDM4EALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL27718498 0.86 PLG (0.48) PLGPLAUHDAC8HDAC6HDAC11
SCHEMBL2949514 0.82 PLAU (0.45) PLGPLAUHDAC8HDAC6HDAC11
SCHEMBL1809488 0.82 HDAC6 (0.51) KDM4EALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL3349233 0.81 PLG (0.51) KDM4EALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL4604850 0.81 MTNR1A (0.50) ALDH1A1SMN1; SMN2HDAC8HDAC6HDAC11
SCHEMBL4616598 0.80 PLAU (0.51) PLGPLAUHDAC8HDAC6HDAC11
SCHEMBL2324058 0.80 TUBB4A (0.62) KDM4EALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL13699049 0.80 KDM4E (0.55) KDM4EALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL2948285 0.80 PLAU (0.42) PLGPLAUHDAC8HDAC6HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754756-B2 Indol-containing beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-13 US disclosed
WO-2008132162-A1 3- (SULPHONYLAMINO) -PHENYL-2 -HYDROXY-ETHYLAMINO DERIVATIVES USEFUL AS BETA-AGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-06 WO disclosed
US-20070105906-A1 Indol-containing beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-10 US disclosed
WO-2007048841-A2 NOVEL INDOLE-CONTAINING BETA AGONISTS, METHOD FOR PRODUCING THEM AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 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-20070105906-A1 Indol-containing beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 KDM4E 4710/4885ALDH1A1 708/4885HPGD 901/4885

“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.