SCHEMBL4647524

SCHEMBL4647524

Cc1cc(NC2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SFRP1 Q8N474 4/20 0.42
GPR119 Q8TDV5 2/20 0.42
EPHX2 P34913 2/20 0.42
STS P08842 1/20 0.41
WNT3 P56703 2/20 0.41
SYK P43405 1/20 0.41
BRD4 O60885 1/20 0.40
EPHX1 P07099 1/20 0.40
IDH1 O75874 1/20 0.40
IDH2 P48735 1/20 0.40

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
SCHEMBL4646560 0.90 ALDH1A1 (0.47) ALDH1A1MAPTLMNAPOLBSMN1; SMN2
SCHEMBL4647182 0.89 ALDH1A1 (0.44) ALDH1A1MAPTLMNAPOLBSMN1; SMN2
SCHEMBL4647997 0.88 MAPT (0.47) ALDH1A1MAPTLMNAPOLBSMN1; SMN2
SCHEMBL29446896 0.86 ALDH1A1 (0.47) ALDH1A1MAPTLMNAPOLBSMN1; SMN2
SCHEMBL4648350 0.86 ALDH1A1 (0.48) ALDH1A1MAPTLMNAPOLBSMN1; SMN2
SCHEMBL4908198 0.86 ALDH1A1 (0.47) ALDH1A1MAPTLMNAPOLBSMN1; SMN2
SCHEMBL3093592 0.86 ALDH1A1 (0.47) ALDH1A1MAPTLMNAPOLBSMN1; SMN2
SCHEMBL4648673 0.85 ALDH1A1 (0.51) ALDH1A1MAPTLMNAPOLBSMN1; SMN2
SCHEMBL4649370 0.85 MAPT (0.49) ALDH1A1MAPTLMNAPOLBSMN1; SMN2
SCHEMBL18425295 0.85 ALDH1A1 (0.52) ALDH1A1MAPTLMNAPOLBSMN1; SMN2

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 9 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
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

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 1574/4885MAPT 1684/4885LMNA 2757/4885

“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.