SCHEMBL1543835

SCHEMBL1543835

O=C(N[C@H]1CC[C@H](CO)CC1)c1cnc(-c2cccc(F)c2)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 6/20 0.50
HPGDS O60760 1/20 0.48
MAP4K4 O95819 2/20 0.48
CNR1 P21554 1/20 0.45
GRM5 P41594 1/20 0.43
HPGD P15428 1/20 0.42
GRIN2B Q13224 1/20 0.42
NTRK1 P04629 1/20 0.42
CRHR1 P34998 1/20 0.42
HTR7 P34969 1/20 0.42
MAPK14 Q16539 1/20 0.41

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
SCHEMBL1543837 1.00 GABRA5 (0.50) GABRA5HPGDSMAP4K4CNR1GRM5
SCHEMBL1543182 0.82 HPGDS (0.68) GABRA5HPGDSMAP4K4GRM5MAPK14
SCHEMBL2994651 0.82 HPGDS (0.68) GABRA5HPGDSMAP4K4GRM5MAPK14
SCHEMBL2070012 0.82 HPGDS (0.73) GABRA5HPGDSHTR7
SCHEMBL2071291 0.80 HPGDS (0.51) GABRA5HPGDSMAP4K4NTRK1HTR7
SCHEMBL2072621 0.78 HPGDS (0.47) GABRA5HPGDSMAP4K4HTR7
SCHEMBL16495642 0.76 GAA (0.48) GABRA5HPGD
SCHEMBL1543442 0.74 HPGDS (0.48) HPGDS
SCHEMBL1543340 0.74 HPGDS (0.74) GABRA5HPGDSMAP4K4GRM5MAPK14
SCHEMBL13240690 0.73 HPGDS (0.66) GABRA5HPGDSMAP4K4GRM5MAPK14

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-2307377-A1 NICOTINAMIDE DERIVATIVES Pfizer Limited (GB) 2011-04-13 EP disclosed
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 US disclosed
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 US disclosed
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 US disclosed
WO-2009153720-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 WO disclosed
WO-2009153720-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 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-20100173888-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 GABRA5 1938/4885HPGDS 1073/4885MAP4K4 2268/4885

“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.