SCHEMBL5090967

SCHEMBL5090967

COc1cccc2c1Oc1cc(Br)ccc1C2C1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.42
GNAI3 P08754 1/20 0.36
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
HTR1A P08908 3/20 0.35
HPGD P15428 2/20 0.35
SLC6A3 Q01959 2/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NMT1 P30419 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
HTR2A P28223 1/20 0.33
KDM4E B2RXH2 1/20 0.33
EGFR P00533 1/20 0.33
FGFR1 P11362 1/20 0.33
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL4513710 0.84 SLC6A2 (0.38) HTR2CSLC6A2SLC6A4HPGDSLC6A3
SCHEMBL5091011 0.82 HTR1A (0.39) HTR2CGNAI3SLC6A2SLC6A4HTR1A
SCHEMBL5097001 0.79 MKNK1 (0.41) HTR2CSLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL5090892 0.79 MAPT (0.37) HTR1AALDH1A1MEN1KMT2ANPC1
SCHEMBL5097281 0.78 OPRD1 (0.44) HPGDMEN1KMT2ANPC1KDM4E
SCHEMBL5096953 0.77 GPR119 (0.43) ALDH1A1
SCHEMBL5097075 0.75 CHRM3 (0.40) HTR2CALDH1A1
SCHEMBL5097051 0.75 HTR2C (0.42) HTR2CGNAI3SLC6A2SLC6A4HTR1A
SCHEMBL5196808 0.75 ICMT (0.44) HTR2CGNAI3ALDH1A1FLT4
SCHEMBL5096972 0.67 MAOA (0.44) HTR2CSLC6A2SLC6A4HTR1ASLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 US disclosed
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 US disclosed
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 US disclosed
EP-1836196-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-26 EP disclosed
WO-2006069275-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 WO 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 (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-20060135522-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 HTR2C 211/4885GNAI3 897/4885SLC6A2 653/4885
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS OPRD1, OPRK1, OPRL1 HTR2C 211/4885GNAI3 897/4885SLC6A2 653/4885

“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.