SCHEMBL490469

SCHEMBL490469

O=C(O)c1ccccc1COc1cccc(Br)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.62
MAOB P27338 6/20 0.58
NR4A2 P43354 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
FOLH1 Q04609 2/20 0.52
ALDH1A1 P00352 4/20 0.51
TP53 P04637 1/20 0.51
HTT P42858 1/20 0.51
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
HIF1A Q16665 1/20 0.47
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47
SOD1 P00441 1/20 0.47

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
SCHEMBL9561885 0.91 MRGPRX4 (0.53) MRGPRX4MAOBNR4A2NPC1RAB9A
SCHEMBL4452776 0.85 HIF1A (0.61) MRGPRX4NR4A2NPC1RAB9AFOLH1
SCHEMBL9128160 0.85 HIF1A (0.52) MRGPRX4MAOBNPC1RAB9AALDH1A1
SCHEMBL1368181 0.84 TP53 (0.63) MRGPRX4NR4A2NPC1RAB9AFOLH1
SCHEMBL1756444 0.84 MRGPRX4 (0.63) MRGPRX4NR4A2NPC1RAB9AFOLH1
SCHEMBL4215754 0.84 NR4A2 (0.59) MRGPRX4NR4A2NPC1RAB9AFOLH1
SCHEMBL3142013 0.83 MRGPRX4 (0.56) MRGPRX4NR4A2FOLH1ALDH1A1TP53
SCHEMBL11572828 0.82 MRGPRX4 (0.64) MRGPRX4NR4A2NPC1RAB9AFOLH1
SCHEMBL10920832 0.82 PTGES (0.51) MRGPRX4MAOBNR4A2NPC1RAB9A
SCHEMBL9127513 0.82 MRGPRX4 (0.51) MRGPRX4MAOBNR4A2NPC1RAB9A

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 39 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
EP-0409406-B1 ARYL-SUBSTITUTED AMINE DERIVATIVES USEFUL IN CANCER THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1993-09-08 EP disclosed
EP-0487502-A2 Pharmaceutically active aryl-substituted amine derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1992-05-27 EP disclosed
EP-0409406-A2 Aryl-substituted amine derivatives useful in cancer therapy THE WELLCOME FOUNDATION LIMITED (GB) 1991-01-23 EP disclosed
WO-1990015599-A1 MEDICAMENTS USEFUL IN CANCER THERAPY AND HAVING ANTIHISTAMINIC PROPERTIES THE WELLCOME FOUNDATION LIMITED (GB) 1990-12-27 WO disclosed
US-4923892-A DOXEPIN DERIVATIVES; ANTIALLERGENS, ANTIASTHMATICS, ANTIHISTAMINES BURROUGHS WELLCOME CO. (US) 1990-05-08 US disclosed
EP-0214779-B1 TRICYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1990-04-11 EP disclosed
EP-0351887-A1 Tricyclic aromatic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1990-01-24 EP disclosed
US-4871865-A ANTIHISTAMINES BURROUGHS WELLCOME CO. (US) 1989-10-03 US disclosed
EP-0316022-A2 Tricyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1989-05-17 EP disclosed
EP-0214779-A1 Tricyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1987-03-18 EP 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-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 MRGPRX4 403/4885MAOB 889/4885NR4A2 365/4885
US-20110245291-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 MRGPRX4 403/4885MAOB 889/4885NR4A2 365/4885

“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.