SCHEMBL4139961

SCHEMBL4139961

CC(C)(C)OC(=O)N1CCC(NCc2cccc(Cl)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STS P08842 6/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
TP53 P04637 2/20 0.55
CARM1 Q86X55 1/20 0.55
PRMT6 Q96LA8 1/20 0.55
CCNT1 O60563 1/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.48
MAPK8 P45983 1/20 0.47
EPHX1 P07099 1/20 0.47

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
SCHEMBL3758709 0.88 GPR119 (0.57) STSTP53ALDH1A1NPC1MAPT
SCHEMBL4244799 0.87 GPR119 (0.61) STSTP53CARM1PRMT6CCNT1
SCHEMBL4210228 0.87 CARM1 (0.55) STSCARM1PRMT6CCNT1ALDH1A1
SCHEMBL652849 0.86 HTT (0.57) STSSMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL616004 0.86 STS (0.60) STSSMN1; SMN2TP53ALDH1A1NPC1
SCHEMBL21276172 0.85 CARM1 (0.47) STSSMN1; SMN2TP53CARM1PRMT6
SCHEMBL8215310 0.85 CARM1 (0.47) STSSMN1; SMN2TP53CARM1PRMT6
SCHEMBL20566961 0.85 TEAD1 (0.63) STSCARM1PRMT6NPC1MAPK1
SCHEMBL21674366 0.84 SMN1; SMN2 (0.60) STSSMN1; SMN2TP53ALDH1A1NPC1
SCHEMBL29442410 0.84 GPR119 (0.56) STSPRMT6ALDH1A1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118270-A1 PHOSPHODIESTERASE 4 INHIBITORS TALAMAS FRANCISCO XAVIER 2009-05-07 US disclosed
US-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
US-20070049611-A1 Phosphodiesterase 4 inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 US disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US 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-20070049611-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3B, PDE4B STS 3156/4885SMN1; SMN2 3783/4885TP53 4833/4885
US-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 STS 4769/4885SMN1; SMN2 4838/4885TP53 2866/4885
US-20090118270-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE4B STS 3156/4885SMN1; SMN2 3783/4885TP53 4833/4885

“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.