SCHEMBL5096972

SCHEMBL5096972

c1ccc2c(c1)Oc1ccccc1C2C1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
NISCH Q9Y2I1 1/20 0.42
HTR2C P28335 8/20 0.42
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
SLC18A3 Q16572 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ATM Q13315 1/20 0.38
ADRB2 P07550 1/20 0.38
CYP2D6 P10635 1/20 0.37
HRH1 P35367 1/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
HTR1A P08908 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL7535279 0.86 MAOA (0.52) MAOAMAOBNISCHMEN1LMNA
SCHEMBL5094872 0.81 NISCH (0.36) NISCHMEN1LMNAKMT2AMAPT
SCHEMBL8816954 0.81 MAOA (0.47) MAOAMAOBNISCHMEN1LMNA
SCHEMBL30567955 0.79 HTR2C (0.46) HTR2CSLC18A3SIGMAR1HRH1HTR1A
SCHEMBL11391882 0.79 HTR2C (0.46) HTR2CSLC18A3SIGMAR1HRH1HTR1A
SCHEMBL5094873 0.78 CYP1A2 (0.43) MAOAMAOBMEN1
SCHEMBL5094787 0.78 NISCH (0.32) NISCH
SCHEMBL5097411 0.77 MEN1 (0.41) MEN1KMT2ACYP2D6SLC6A4
SCHEMBL490270 0.76 OPRD1 (0.48) MEN1KMT2ACYP2D6
SCHEMBL5860592 0.76 HTR2C (0.45) HTR2CSIGMAR1

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-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 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 (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 MAOA 948/4885MAOB 889/4885NISCH 1726/4885
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS OPRD1, OPRK1, OPRL1 MAOA 948/4885MAOB 889/4885NISCH 1726/4885

“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.