SCHEMBL6844837

SCHEMBL6844837

Cc1cc(C(=O)O)cc2c1N(c1ccc(F)cc1)CC2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
RAB9A P51151 3/20 0.39
LMNA P02545 2/20 0.39
NOTUM Q6P988 2/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 2/20 0.38
PTGER4 P35408 1/20 0.38
PTGER2 P43116 1/20 0.38
SSTR5 P35346 1/20 0.38
HTR7 P34969 1/20 0.37
SRD5A1 P18405 1/20 0.36
SRD5A2 P31213 1/20 0.36
HDAC1 Q13547 1/20 0.36
TTR P02766 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL6844862 0.86 ALDH1A1 (0.40) KDM4ERAB9ALMNANPC1SMN1; SMN2
SCHEMBL698804 0.77 OPRM1 (0.47) KDM4ENOTUMSMN1; SMN2TP53ALDH1A1
SCHEMBL6844898 0.74 NOTUM (0.45) KDM4ERAB9ALMNANOTUMNPC1
SCHEMBL8374943 0.74 CYP11B2 (0.41) RAB9ALMNANPC1SMN1; SMN2TP53
SCHEMBL2610328 0.70 NOTUM (0.50) RAB9ALMNANOTUMNPC1SMN1; SMN2
SCHEMBL31586091 0.68 BCAT2 (0.52) RAB9ALMNANPC1SMN1; SMN2TP53
SCHEMBL20601649 0.68 BCAT2 (0.52) RAB9ALMNANPC1SMN1; SMN2TP53
SCHEMBL22871444 0.68 BCAT2 (0.52) ALDH1A1HDAC1
SCHEMBL699408 0.68 SRD5A1 (0.57) KDM4ERAB9ANOTUMNPC1SMN1; SMN2
SCHEMBL120512 0.65 NOTUM (0.40) KDM4ERAB9ALMNANOTUMNPC1

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 2 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-20110015171-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 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-20110015171-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA KDM4E 1931/4885RAB9A 851/4885LMNA 2009/4885

“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.