SCHEMBL695218

SCHEMBL695218

N#Cc1ccc(N2CC[CH]CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.63
▸ TP53 P04637 1/20 0.63
▸ CHRNA10 Q9GZZ6 1/20 0.53
▸ CHRNA9 Q9UGM1 1/20 0.53
▸ CHEK1 O14757 1/20 0.45
▸ HRH3 Q9Y5N1 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ DRD2 P14416 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ MLYCD O95822 1/20 0.40
▸ PANK3 Q9H999 1/20 0.40
▸ KCNJ1 P48048 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ FAAH O00519 1/20 0.40
▸ AR P10275 1/20 0.39

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
SCHEMBL2384959 0.87 KDM4E (0.80) KDM4ETP53CHRNA10CHRNA9CHEK1
SCHEMBL7402909 0.83 KDM4E (0.68) KDM4ETP53CHRNA10CHRNA9CHEK1
SCHEMBL154178 0.83 KDM4E (0.68) KDM4ETP53CHRNA10CHRNA9CHEK1
SCHEMBL139427 0.81 KDM4E (0.66) KDM4ETP53CHRNA10CHRNA9CHEK1
SCHEMBL149656 0.81 KDM4E (0.66) KDM4ETP53CHRNA10CHRNA9CHEK1
SCHEMBL231077 0.79 KDM4E (0.63) KDM4ETP53CHRNA10CHRNA9DRD2
SCHEMBL6956744 0.79 KDM4E (0.63) KDM4ETP53CHRNA10CHRNA9DRD2
SCHEMBL39646 0.79 KDM4E (0.63) KDM4ETP53CHRNA10CHRNA9AR
SCHEMBL617262 0.79 FAAH (0.59) KDM4ETP53CHRNA10CHRNA9CHEK1
Hydrochloric Acid SCHEMBL23303443 0.78 KDM4E (0.61) KDM4ETP53CHRNA10CHRNA9DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426401-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV 2013-04-23 — — US claimed
CN-102459255-A Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2012-05-16 — — CN claimed
EP-2421860-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 — — EP claimed
US-20100324011-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 — — US claimed
WO-2010124082-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 — — WO claimed
CN-104211685-A Thiomorpholine compounds containing substituted pyrrole alkyl groups INST MATERIA MEDICA CAMS 2014-12-17 — — CN disclosed
US-8697683-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-04-15 — — US disclosed
US-20130217669-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (US) 2013-08-22 — — US disclosed
US-8426401-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV 2013-04-23 — — US disclosed
CN-102459255-A Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2012-05-16 — — CN disclosed
EP-2421860-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 — — EP disclosed
US-20110230467-A1 4,6-DIAMINONICOTINAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-09-22 — — US disclosed
EP-2361902-A1 4,6-DIAMINONICOTINAMIDE COMPOUND Astellas Pharma Inc. (JP) 2011-08-31 — — EP disclosed
US-20100324011-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 — — US disclosed
WO-2010124082-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 — — 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 (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-20110230467-A1 4,6-DIAMINONICOTINAMIDE COMPOUND JAK3, JAK2, JAK1 KDM4E 1929/4885TP53 3752/4885CHRNA10 3406/4885
US-20100324011-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA KDM4E 1931/4885TP53 4318/4885CHRNA10 3092/4885
US-20130217669-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA KDM4E 1931/4885TP53 4318/4885CHRNA10 3092/4885

“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.

Send feedback