SCHEMBL28740

SCHEMBL28740

O=C([C@@H]1CCCN1)N1CCc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.62
POLB P06746 3/20 0.53
CNR2 P34972 1/20 0.52
NOTUM Q6P988 1/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TFPI2 P48307 1/20 0.51
HSD17B10 Q99714 2/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HPGD P15428 2/20 0.49
USP2 O75604 1/20 0.49
ALOX15 P16050 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL2732735 1.00 TSHR (0.62) TSHRPOLBCNR2NOTUMRAB9A
SCHEMBL3330829 0.93 POLB (0.63) TSHRPOLBCNR2NOTUMSMN1; SMN2
SCHEMBL3330822 0.93 POLB (0.63) TSHRPOLBCNR2NOTUMSMN1; SMN2
SCHEMBL22228517 0.84 UCHL1 (0.60)
SCHEMBL28212654 0.84 USP30 (0.59) TSHRRAB9ANPC1PARP1
SCHEMBL28858914 0.84 UCHL1 (0.60)
SCHEMBL28212653 0.84 USP30 (0.59) TSHRRAB9ANPC1PARP1
SCHEMBL13363857 0.83 NPC1 (0.45) TSHRPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL4815342 0.82 TSHR (0.41) TSHRPOLBCNR2RAB9ANPC1
SCHEMBL28858907 0.80 UCHL1 (0.51) TSHRNOTUMPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669266-B2 Quinoline-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2014-03-11 US disclosed
US-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2013-09-05 US disclosed
WO-2012025164-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 WO disclosed
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-10 US disclosed
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-10 US disclosed
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2010-06-03 US disclosed
EP-2148871-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-02-03 EP disclosed
WO-2008128647-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2008-10-30 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 (3 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-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES HDAC1, HDAC11, HDAC3 TSHR 1283/4885POLB 2195/4885CNR2 2268/4885
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY12, P2RY1, P2RY2 TSHR 916/4885POLB 1874/4885CNR2 24/4885
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 TSHR 1359/4885POLB 2226/4885CNR2 2168/4885

“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.