SCHEMBL6844862

SCHEMBL6844862

O=C(O)c1cc(F)c2c(c1)CCN2c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
PTGER4 P35408 1/20 0.40
PTGER2 P43116 1/20 0.40
KDM4E B2RXH2 3/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 3/20 0.38
TP53 P04637 3/20 0.38
NPC1 O15118 3/20 0.38
HDAC1 Q13547 1/20 0.38
ALOX5 P09917 1/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
BCL2L1 Q07817 1/20 0.37
BAD Q92934 1/20 0.37

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
SCHEMBL6844837 0.86 KDM4E (0.42) ALDH1A1PTGER4PTGER2KDM4ERAB9A
SCHEMBL698804 0.79 OPRM1 (0.47) ALDH1A1KDM4ESMN1; SMN2TP53HDAC1
SCHEMBL8374943 0.76 CYP11B2 (0.41) ALDH1A1RAB9ASMN1; SMN2LMNATP53
SCHEMBL31586091 0.70 BCAT2 (0.52) ALDH1A1RAB9ASMN1; SMN2LMNATP53
SCHEMBL22871444 0.70 BCAT2 (0.52) ALDH1A1HDAC1CYP11B1CYP11B2AKR1C3
SCHEMBL20601649 0.70 BCAT2 (0.52) ALDH1A1RAB9ASMN1; SMN2LMNATP53
SCHEMBL2610328 0.69 NOTUM (0.50) ALDH1A1RAB9ASMN1; SMN2LMNATP53
SCHEMBL10130835 0.69 OPRM1 (0.45) ALDH1A1KDM4ETSHRHPGDKMT2A
SCHEMBL6844898 0.68 NOTUM (0.45) ALDH1A1KDM4ERAB9ASMN1; SMN2LMNA
SCHEMBL699408 0.67 SRD5A1 (0.57) ALDH1A1KDM4ERAB9ASMN1; SMN2TP53

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-8362000-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-01-29 US disclosed
US-8362001-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-01-29 US disclosed
US-20110015171-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US disclosed
US-20100331300-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-30 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-20110015171-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA ALDH1A1 364/4885PTGER4 1860/4885PTGER2 975/4885
US-20100331300-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA ALDH1A1 364/4885PTGER4 1860/4885PTGER2 975/4885

“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.