SCHEMBL14947634

SCHEMBL14947634

O=C(c1ccc(C2CCCCC2)cc1)C1CC(N2CCNCC2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.46
KMT2A Q03164 2/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC1 Q13547 1/20 0.41
HAO1 Q9UJM8 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
SLC6A7 Q99884 1/20 0.39
CHRM2 P08172 3/20 0.39
CHRM4 P08173 3/20 0.39
CHRM1 P11229 3/20 0.39
CHRM3 P20309 3/20 0.39
TPSAB1 Q15661 1/20 0.39
TPSD1 Q9BZJ3 1/20 0.39
TPSG1 Q9NRR2 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
SCHEMBL14947637 0.82 MGLL (0.47) MGLLHDAC8HDAC6HDAC1L3MBTL3
SCHEMBL14950755 0.80 MGLL (0.45) MGLLKMT2AHDAC8HDAC6HDAC1
SCHEMBL14947636 0.80 KDM4E (0.60) MGLLKMT2AL3MBTL3L3MBTL1MEN1
SCHEMBL693101 0.80 L3MBTL3 (0.56) KMT2AHPGDSMN1; SMN2L3MBTL3L3MBTL1
Bicarbonate SCHEMBL11467376 0.76 SRD5A2 (0.57) MGLLKMT2ASMN1; SMN2HDAC8HDAC6
SCHEMBL7868123 0.74 HPGD (0.45) MGLLKMT2AHPGDSMN1; SMN2HDAC8
SCHEMBL7322330 0.71 L3MBTL3 (0.56) KMT2AHPGDSMN1; SMN2L3MBTL3L3MBTL1
SCHEMBL10011074 0.69 HDAC8 (0.61) KMT2ASMN1; SMN2HDAC8HDAC6HDAC1
SCHEMBL18502022 0.68 L3MBTL3 (0.80) KMT2AL3MBTL3L3MBTL1MEN1
SCHEMBL3919775 0.68 L3MBTL3 (0.69) KMT2AL3MBTL3L3MBTL1MEN1SLC6A7

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-8623858-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-01-07 US disclosed
US-8623858-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-01-07 US disclosed
US-20130123233-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-05-16 US disclosed
US-20130123233-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-05-16 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 (1 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-20130123233-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA MGLL 5/4885KMT2A 1573/4885HPGD 731/4885

“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.