SCHEMBL4504201

SCHEMBL4504201

CCOC(=O)c1ccc(C(=O)O)cc1Oc1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
ALDH1A1 P00352 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HTT P42858 2/20 0.47
LPAR1 Q92633 1/20 0.46
LPAR5 Q9H1C0 1/20 0.46
TSHR P16473 2/20 0.45
HPGD P15428 2/20 0.45
RAB9A P51151 2/20 0.45
TP53 P04637 2/20 0.45
TTR P02766 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
MITF O75030 1/20 0.45
XBP1 P17861 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
KMT2A Q03164 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL4513832 0.87 TSHR (0.47) MAPTALDH1A1LPAR1LPAR5TSHR
SCHEMBL4502266 0.86 TTR (0.53) MAPTALDH1A1NPSR1HTTTSHR
SCHEMBL490655 0.85 TSHR (0.45) ALDH1A1NPSR1TSHRRAB9ATTR
SCHEMBL1956268 0.85 TSHR (0.47) MAPTALDH1A1NPSR1HTTTSHR
SCHEMBL490298 0.84 TTR (0.57) MAPTALDH1A1HTTTSHRTTR
SCHEMBL5063269 0.80 LMNA (0.52) MAPTALDH1A1TSHRKMT2AKDM4E
SCHEMBL4506553 0.79 PTGER4 (0.47) MAPTALDH1A1NPSR1LPAR1LPAR5
SCHEMBL6439002 0.78 TSHR (0.60) HTTTSHRRAB9ATTRNPC1
SCHEMBL30024762 0.78 TSHR (0.60) TSHRTP53TTRMEN1KMT2A
SCHEMBL17559347 0.78 TSHR (0.60) TSHRTP53TTRMEN1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589104-B2 Tricyclic-bridged piperidinyline derivatives as §-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-15 US disclosed
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 US disclosed
CN-101119992-A Tricyclic delta opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2008-02-06 CN disclosed
EP-1836196-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-26 EP disclosed
EP-1833825-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-19 EP disclosed
WO-2006069275-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 WO disclosed
WO-2006069277-A1 TRICYCLIC δ-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 WO disclosed
US-20060135524-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-22 US disclosed
US-20060135522-A1 Tricyclic delta-opioid modulators CARSON JOHN R 2006-06-22 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 (3 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-20060135524-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 MAPT 1156/4885ALDH1A1 1302/4885NPSR1 90/4885
US-20060135522-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 MAPT 1156/4885ALDH1A1 1302/4885NPSR1 90/4885
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS OPRD1, OPRK1, OPRL1 MAPT 1156/4885ALDH1A1 1302/4885NPSR1 90/4885

“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.