SCHEMBL490380

SCHEMBL490380

N#Cc1ccc(Br)cc1Sc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.54
MAOA P21397 5/20 0.54
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 3/20 0.53
MAPT P10636 3/20 0.53
HPGD P15428 1/20 0.53
ABCC9 O60706 1/20 0.46
ABCC8 Q09428 1/20 0.46
KCNJ11 Q14654 1/20 0.46
KCNJ8 Q15842 1/20 0.46
MCL1 Q07820 2/20 0.43
AR P10275 3/20 0.42
PGR P06401 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL20389510 0.89 MAOB (0.66) MAOBMAOAALDH1A1KDM4EMAPT
SCHEMBL20287530 0.88 MAOB (0.51) MAOBMAOAALDH1A1KDM4EMAPT
SCHEMBL3961581 0.82 MAOA (0.73) MAOBMAOAALDH1A1KDM4EMAPT
SCHEMBL11630733 0.81 MAOA (0.58) MAOBMAOAALDH1A1KDM4EMAPT
SCHEMBL28453840 0.79 CYP1A2 (0.55) MAOBMAOAALDH1A1KDM4EMAPT
SCHEMBL8866407 0.79 KDM4E (0.76) MAOBMAOAALDH1A1KDM4EMAPT
SCHEMBL19642689 0.79 CYP1A2 (0.42) MAOBMAOAMAPTMCL1AR
SCHEMBL29548524 0.79 CYP1A2 (0.42) MAOBMAOAMAPTMCL1AR
SCHEMBL27639056 0.79 MAOB (0.56) MAOBMAOAALDH1A1KDM4EMAPT
SCHEMBL28657543 0.78 CYP1A2 (0.49) MAOBMAOAALDH1A1KDM4EMAPT

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8350041-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-01-08 US disclosed
US-8350041-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-01-08 US disclosed
US-8350041-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-01-08 US disclosed
US-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS CARSON JOHN R (US) 2012-04-19 US disclosed
US-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS CARSON JOHN R (US) 2012-04-19 US disclosed
US-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS CARSON JOHN R (US) 2012-04-19 US disclosed
US-8106207-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA, NV (BE) 2012-01-31 US disclosed
US-8106207-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA, NV (BE) 2012-01-31 US disclosed
US-8106207-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA, NV (BE) 2012-01-31 US disclosed
US-20110245291-A1 TRICYCLIC DELTA-OPIOID MODULATORS CARSON JOHN R 2011-10-06 US disclosed
US-7589103-B2 Especially 2-aminocarbonyl-9-(thio)xanthenylidene-8-aza-bicyclo[3.2.1] octane derivatives are used in pharmaceutical and veterinary compositions for treating mild to severe pain and various diseases JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-15 US disclosed
US-7553850-B2 Tricyclic-bridged piperidinylidene derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA NV (BG) 2009-06-30 US disclosed
US-7553850-B2 Tricyclic-bridged piperidinylidene derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA NV (BG) 2009-06-30 US disclosed
US-7553850-B2 Tricyclic-bridged piperidinylidene derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA NV (BG) 2009-06-30 US disclosed
EP-1910353-A1 TRICYCLIC DELTA- OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-16 EP disclosed
WO-2007030089-A1 TRICYCLIC DELTA- OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-15 WO disclosed
EP-1644373-A1 TRICYCLIC DELTA OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-04-12 EP disclosed
US-20060030585-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-02-09 US disclosed
WO-2005003131-A1 TRICYCLIC DELTA OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-13 WO disclosed
US-20050009860-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-01-13 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 (4 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-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 MAOB 889/4885MAOA 948/4885ALDH1A1 1302/4885
US-20050009860-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 MAOB 889/4885MAOA 948/4885ALDH1A1 1302/4885
US-20110245291-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 MAOB 889/4885MAOA 948/4885ALDH1A1 1302/4885
US-20060030585-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 MAOB 889/4885MAOA 948/4885ALDH1A1 1302/4885

“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.