SCHEMBL3330822

SCHEMBL3330822

O=C([C@@H]1CCCN1)N1CCCc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.63
SMN1; SMN2 Q16637 4/20 0.57
NOTUM Q6P988 1/20 0.55
TSHR P16473 4/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HTT P42858 3/20 0.50
SIGMAR1 Q99720 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
HSD11B1 P28845 3/20 0.49
LMNA P02545 1/20 0.49
CNR2 P34972 1/20 0.49
NPSR1 Q6W5P4 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
SCHEMBL3330829 1.00 POLB (0.63) POLBSMN1; SMN2NOTUMTSHRMEN1
SCHEMBL28740 0.93 TSHR (0.62) POLBSMN1; SMN2NOTUMTSHRMEN1
SCHEMBL2732735 0.93 TSHR (0.62) POLBSMN1; SMN2NOTUMTSHRMEN1
SCHEMBL31122449 0.82 HDAC1 (0.50) POLBNOTUMMEN1KMT2AALDH1A1
SCHEMBL13363857 0.82 NPC1 (0.45) POLBSMN1; SMN2TSHRMEN1KMT2A
SCHEMBL28212620 0.79 UCHL1 (0.60)
SCHEMBL22228535 0.79 UCHL1 (0.60)
SCHEMBL21788621 0.79 POLB (0.71) POLBSMN1; SMN2NOTUMTSHRMEN1
SCHEMBL22228517 0.78 UCHL1 (0.60)
SCHEMBL28858914 0.78 UCHL1 (0.60)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295200-A1 STAT5 and STAT6 Inhibitors and Uses Thereof UNIV MICHIGAN (US) 2023-09-21 US disclosed
US-20230295200-A1 STAT5 and STAT6 Inhibitors and Uses Thereof UNIV MICHIGAN (US) 2023-09-21 US disclosed
US-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2015-05-28 US disclosed
US-8669266-B2 Quinoline-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2014-03-11 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-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS GLP1R, GPR119, TRHR POLB 4475/4885SMN1; SMN2 582/4885NOTUM 2964/4885
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY12, P2RY1, P2RY2 POLB 1874/4885SMN1; SMN2 4406/4885NOTUM 3443/4885
US-20230295200-A1 STAT5 and STAT6 Inhibitors and Uses Thereof STAT6, STAT5B, STAT5A POLB 4319/4885SMN1; SMN2 4597/4885NOTUM 2467/4885

“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.