SCHEMBL4648359

SCHEMBL4648359

Cc1cc(NC2CCN(C(=O)OC(C)(C)C)CC2)c(N)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
EPHX2 P34913 3/20 0.44
STS P08842 1/20 0.44
GPR119 Q8TDV5 2/20 0.43
SYK P43405 1/20 0.43
EPHX1 P07099 1/20 0.43
SFRP1 Q8N474 2/20 0.43
BRD4 O60885 1/20 0.42
IDH1 O75874 1/20 0.42
IDH2 P48735 1/20 0.42
BTK Q06187 1/20 0.42
CNR1 P21554 1/20 0.42
HDAC4 P56524 1/20 0.41
CCNA2 P20248 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
SCHEMBL4647429 0.89 ALDH1A1 (0.50) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL4647781 0.88 ALDH1A1 (0.47) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL4647276 0.87 ALDH1A1 (0.50) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL3107643 0.85 ALDH1A1 (0.50) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL4688757 0.85 ALDH1A1 (0.50) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL4646548 0.85 ALDH1A1 (0.52) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL4648470 0.84 ALDH1A1 (0.55) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL4647524 0.84 ALDH1A1 (0.45) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL18425256 0.83 ALDH1A1 (0.56) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL14008492 0.83 ALDH1A1 (0.51) ALDH1A1NPC1MAPTMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288412-B2 Psychological disorders; cognition activators GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-8288412-B2 Psychological disorders; cognition activators GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-8288412-B2 Psychological disorders; cognition activators GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
EP-1960389-B1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
EP-1960389-B1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
US-20080293770-A1 Compounds Which Have Activity at M1 Receptor and Their Uses In Medicine GLAXO GROUP LIMITED (GB) 2008-11-27 US disclosed
US-20080293770-A1 Compounds Which Have Activity at M1 Receptor and Their Uses In Medicine GLAXO GROUP LIMITED (GB) 2008-11-27 US disclosed
US-20080293770-A1 Compounds Which Have Activity at M1 Receptor and Their Uses In Medicine GLAXO GROUP LIMITED (GB) 2008-11-27 US disclosed
EP-1960389-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-08-27 EP disclosed
WO-2007036718-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-04-05 WO disclosed
WO-2007036718-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-04-05 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-20080293770-A1 Compounds Which Have Activity at M1 Receptor and Their Uses In Medicine CHRM1, CHRM2, CHRM5 ALDH1A1 1574/4885NPC1 676/4885MAPT 1684/4885

“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.