SCHEMBL2925142

SCHEMBL2925142

COc1ccc(C2=CCN[C@H](CO)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 3/20 0.41
CDK9 P50750 3/20 0.41
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
ESR2 Q92731 1/20 0.36
BACE1 P56817 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL2925144 1.00 CCNT1 (0.41) CCNT1CDK9KMT2AALDH1A1MEN1
SCHEMBL7561336 0.81 MEN1 (0.41) KMT2AALDH1A1MEN1
SCHEMBL9169199 0.75 GAA (0.46) HTR1A
SCHEMBL10530517 0.74 CYP11B1 (0.44)
SCHEMBL10530713 0.73 CYP11B1 (0.42)
SCHEMBL10529390 0.72 CYP11B1 (0.41)
SCHEMBL8368061 0.71 CYP11B1 (0.40) KMT2AMEN1BACE1NPC1
Hydrochloric Acid SCHEMBL8335987 0.70 DRD2 (0.50) KMT2AALDH1A1MEN1SMN1; SMN2HTR1A
SCHEMBL5762608 0.68 HSD17B1 (0.46) KMT2AMEN1MAPK1NPC1RAB9A
SCHEMBL7432997 0.67 SIGMAR1 (0.41) KMT2AALDH1A1SMN1; SMN2HTR1ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863803-B1 SUBSTITUTED PIPERIDINES NOVARTIS AG (CH) 2010-09-01 EP disclosed
US-7687495-B2 Substituted piperidines SPEEDEL EXPERIMENTA AG (CH) 2010-03-30 US disclosed
US-20100029628-A1 2,4,5-Substituted Piperidines as Renin Inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
EP-1958634-A2 Substituted piperidines as inhibitors of beta-secretase, cathepsin D, plasmepsin II and/or HIV protease Speedel Experimenta AG (CH) 2008-08-20 EP disclosed
US-20080171748-A1 Substituted piperidines NOVARTIS AG (CH) 2008-07-17 US disclosed
EP-1908762-A2 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed
EP-1908761-A1 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed
EP-1897879-A2 2,4,5 substituted piperidines as renin inhibitors Speedel Experimenta AG (CH) 2008-03-12 EP disclosed
EP-1863803-A2 SUBSTITUTED PIPERIDINES Speedel Experimenta AG (CH) 2007-12-12 EP disclosed
WO-2006103277-A2 2 , 4 , 5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-10-05 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 (2 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-20100029628-A1 2,4,5-Substituted Piperidines as Renin Inhibitors REN, AGT, AGTR1 CCNT1 519/4885CDK9 2401/4885KMT2A 2879/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 CCNT1 2435/4885CDK9 1357/4885KMT2A 2739/4885

“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.