SCHEMBL26268136

SCHEMBL26268136

COc1cc2c3c(c[nH]c3c1CN(C)C1Cc3c[nH]c4ccc(OC)c(c34)C1)CC(N(C)C)C2

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
HTR1A P08908 2/20 0.36
HTR1D P28221 2/20 0.35
HTR1B P28222 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A4 P31645 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
SCHEMBL9790366 0.83 MTNR1A (0.57) MTNR1AMTNR1BHTR1AHTR1DHTR1B
SCHEMBL23261971 0.80
Oxalic Acid SCHEMBL10340374 0.78 MTNR1A (0.61) MTNR1AMTNR1BHTR1AHTR1DHTR1B
Maleic Acid SCHEMBL9790417 0.74 MTNR1A (0.56) MTNR1AMTNR1BHTR1AHTR1DHTR1B
SCHEMBL11019525 0.73 MTNR1A (0.54) MTNR1AMTNR1BHTR1AHTR1DHTR1B
SCHEMBL6890172 0.71 HTR1A (0.65) MTNR1AMTNR1BHTR1AHTR1DHTR1B
SCHEMBL10340261 0.71 MTNR1A (0.49) MTNR1AMTNR1BHTR1AHTR1DHTR1B
Hydrochloric Acid SCHEMBL7716614 0.71 HTR1A (0.64) MTNR1AMTNR1BHTR1AHTR1DHTR1B
SCHEMBL26268093 0.70 HTR1A (0.33) MTNR1AMTNR1BHTR1AHTR1D
SCHEMBL11021292 0.70 MTNR1A (0.50) MTNR1AMTNR1BHTR1AHTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295106-A1 ERGOLINE-LIKE COMPOUNDS FOR PROMOTING NEURAL PLASTICITY DELIX THERAPEUTICS, INC. 2023-09-21 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 (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-20230295106-A1 ERGOLINE-LIKE COMPOUNDS FOR PROMOTING NEURAL PLASTICITY GRIN1, GRIN2A, GRIN3B MTNR1A 642/4885MTNR1B 332/4885HTR1A 746/4885

“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.