SCHEMBL1136936

SCHEMBL1136936

O=C(O)N1CCN(c2ccc(CO)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 1/20 0.54
▸ POLB P06746 1/20 0.51
▸ ME2 P23368 4/20 0.49
▸ ME1 P48163 4/20 0.49
▸ ME3 Q16798 4/20 0.49
▸ MAPT P10636 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ GRM5 P41594 3/20 0.48
▸ GFER P55789 2/20 0.48
▸ ATM Q13315 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ AKR1C3 P42330 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ TSHR P16473 1/20 0.46

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
SCHEMBL3485750 0.85 GPR119 (0.47) CHKAPOLBME3AKR1C3USP2
SCHEMBL110127 0.84 POLB (0.50) POLBME2ME1ME3MAPT
SCHEMBL3334063 0.84 GFER (0.65) CHKAMAPTALDH1A1GFERLMNA
SCHEMBL19212222 0.81 ME2 (0.50) POLBME2ME1ME3MAPT
SCHEMBL18586080 0.80 GRM5 (0.52) POLBMAPTALDH1A1GRM5LMNA
SCHEMBL16026436 0.80 NCF1 (0.57) POLBME2ME1ME3MAPT
SCHEMBL3466014 0.79 TDP1 (0.64) ME2ME1ME3MAPTALDH1A1
SCHEMBL631962 0.79 ALDH1A1 (0.69) POLBMAPTALDH1A1LMNANPSR1
SCHEMBL22346647 0.79 HRH3 (0.56) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL5015647 0.78 AKR1C3 (0.65) POLBMAPTALDH1A1GFERLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114873-B1 N-[3-BROMO-4-(3- [18F]FLUOROPROPOXY)-BENZYL]-GUANIDINE FOR IMAGING CARDIAC INNERVATION LANTHEUS MEDICAL IMAGING INC (US) 2013-02-20 — — EP disclosed
EP-1919905-B1 3,5-DISUBSTITUTED PYRID-2-ONES USEFUL AS INHIBITORS OF TEC FAMILY OF NON-RECPTOR TYROSINE KINASES VERTEX PHARMA (US) 2011-02-23 — — EP disclosed
US-7786120-B2 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 — — US disclosed
EP-1919905-A2 3,5-DISUBSTITUTED PYRID-2-ONES USEFUL AS INHIBITORS OF TEC FAMILY OF NON-RECPTOR TYROSINE KINASES Vertex Pharmaceuticals Incorporated (US) 2008-05-14 — — EP disclosed
US-20070185125-A1 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-09 — — US disclosed
WO-2007027528-A2 3,5-DISUBSTITUTED PYRID-2-ONES USEFUL AS INHIBITORS OF TEC FAMILY OF NON-.RECEPTOR TYROSINE KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-03-08 — — 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-20070185125-A1 Pyridones useful as inhibitors of kinases MAP3K20, MAP3K6, MAP3K5 CHKA 145/4885POLB 1415/4885ME2 1357/4885

“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.

Send feedback