SCHEMBL4915634

SCHEMBL4915634

[c]1ccccc1C1Cc2cccc3cccc1c23

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.40
MTNR1B P49286 10/20 0.40
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
OPRM1 P35372 5/20 0.32
OPRK1 P41145 5/20 0.32
OPRL1 P41146 5/20 0.32
OPRD1 P41143 4/20 0.32
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL28608485 0.75 MTNR1A (0.37) MTNR1AMTNR1BADRA2AADRA2BADRA2C
SCHEMBL5374308 0.75 FGFR1 (0.47) MTNR1AMTNR1BADRA2AADRA2BADRA2C
SCHEMBL27858072 0.75 MTNR1A (0.35) MTNR1AMTNR1BADRA2AADRA2BADRA2C
SCHEMBL28371568 0.74 MTNR1A (0.43) MTNR1AMTNR1BADRA2AADRA2BADRA2C
SCHEMBL4915638 0.74 MTNR1A (0.38) MTNR1AMTNR1BADRA2AADRA2BADRA2C
SCHEMBL4795332 0.70 ADRA1A (0.44) ADRA2AOPRM1
Acenaphthene SCHEMBL28276761 0.70 ADRA2A (0.43) MTNR1AMTNR1BADRA2AADRA2BADRA2C
SCHEMBL21221316 0.70 FGFR1 (0.40) MTNR1AMTNR1BADRA2AADRA2BADRA2C
SCHEMBL28439243 0.70 MTNR1A (0.38) MTNR1AMTNR1BADRA2AADRA2BADRA2C
SCHEMBL13004830 0.69 MTNR1A (0.40) MTNR1AMTNR1BADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311844-B Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component 东曹株式会社 2021-07-20 CN disclosed
US-20080287695-A1 Agent For Optical Resolution, Process For Producing Optically Active Substance and 1,5-Substituted Bicyclo [3.3.0] -2-Oxaoctane Compound ZEON CORPORATION (JP) 2008-11-20 US disclosed
EP-1719746-A1 OPTICAL RESOLVER, PROCESS FOR PRODUCING OPTICALLY ACTIVE ISOMER, AND 1,5-SUBSTITUTED BICYCLO (3.3.0) -2-OXAOCTANE COMPOUND ZEON CORPORATION (JP) 2006-11-08 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 (1 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-20080287695-A1 Agent For Optical Resolution, Process For Producing Optically Active Substance and 1,5-Substituted Bicyclo [3.3.0] -2-Oxaoctane Compound ALDH1A2, OXER1, HCRTR1 MTNR1A 676/4885MTNR1B 633/4885ADRA2A 504/4885

“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.