SCHEMBL13066415

SCHEMBL13066415

CCN/C(=N\C#N)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.36
IDO1 P14902 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MGLL Q99685 1/20 0.33
MAPT P10636 2/20 0.33
RECQL P46063 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL21597555 1.00 KMT2A (0.41) KMT2APOLBIDO1SMN1; SMN2NPC1
SCHEMBL21597554 1.00 KMT2A (0.41) KMT2APOLBIDO1SMN1; SMN2NPC1
SCHEMBL13617146 0.88 MAPT (0.40) KMT2APOLBIDO1ZDHHC2GAA
SCHEMBL3421932 0.84 ZDHHC2 (0.50) ZDHHC2ALDH1A1MGLL
SCHEMBL14996220 0.84 ZDHHC2 (0.50) ZDHHC2ALDH1A1MGLL
SCHEMBL13630803 0.83 ZDHHC2 (0.52) ZDHHC2ALDH1A1MGLL
SCHEMBL556016 0.83 MCL1 (0.44) KMT2APOLBSMN1; SMN2NPC1RAB9A
SCHEMBL13939605 0.83 MCL1 (0.44) KMT2APOLBSMN1; SMN2NPC1RAB9A
SCHEMBL3968975 0.83 MCL1 (0.44) KMT2APOLBSMN1; SMN2NPC1RAB9A
SCHEMBL10665995 0.81 KMT2A (0.44) KMT2APOLBIDO1SMN1; SMN2GAA

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
EP-2253328-A1 Cycloalkyl inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-11-24 EP disclosed
US-7390822-B2 Substituted 4-phenyl-4-[1H-imidazol-2-yl]-piperidine derivatives for reducing ischaemic damage JANSSEN PHARMACEUTICA, N.V. (BE) 2008-06-24 US disclosed
US-7390822-B2 Substituted 4-phenyl-4-[1H-imidazol-2-yl]-piperidine derivatives for reducing ischaemic damage JANSSEN PHARMACEUTICA, N.V. (BE) 2008-06-24 US disclosed
US-20080096925-A1 Novel Substituted 4-Phenyl-4[H-Imidazol-2-YL]-Piperidine Derivatived And Their Use As Selective Non-Peptide Delta Opioid Agonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-24 US disclosed
US-20080096925-A1 Novel Substituted 4-Phenyl-4[H-Imidazol-2-YL]-Piperidine Derivatived And Their Use As Selective Non-Peptide Delta Opioid Agonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-24 US disclosed
US-7282508-B2 Substituted 4-phenyl-4-(1H-imidazol-2-yl)-piperidine derivatives and their use as selective non-peptide delta opioid agonists JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-16 US disclosed
US-7282508-B2 Substituted 4-phenyl-4-(1H-imidazol-2-yl)-piperidine derivatives and their use as selective non-peptide delta opioid agonists JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-16 US disclosed
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2007-06-21 US disclosed
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2007-06-21 US disclosed
US-7202253-B2 Cycloalkyl inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-10 US disclosed
US-7202253-B2 Cycloalkyl inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-10 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 (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-20080096925-A1 Novel Substituted 4-Phenyl-4[H-Imidazol-2-YL]-Piperidine Derivatived And Their Use As Selective Non-Peptide Delta Opioid Agonists OPRD1, OPRK1, OPRL1 KMT2A 3747/4885POLB 1988/4885IDO1 1494/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 KMT2A 1396/4885POLB 4024/4885IDO1 2776/4885

“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.