SCHEMBL20468699

SCHEMBL20468699

CCSc1ccc([C@H](N)[C@H](C)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.53
MAOA P21397 5/20 0.53
MAOB P27338 3/20 0.39
PTGS2 P35354 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL20468698 1.00 SLC6A4 (0.53) SLC6A4MAOAMAOBPTGS2HTR2A
SCHEMBL835786 0.81 SLC6A4 (0.53) SLC6A4MAOAHTR2AHTR2B
SCHEMBL13175896 0.76 SLC6A4 (0.53) SLC6A4MAOAMAOBPTGS2
SCHEMBL17688579 0.76 SLC6A4 (0.50) SLC6A4MAOAMAOBPTGS2HTR2A
SCHEMBL17688578 0.76 SLC6A4 (0.50) SLC6A4MAOAMAOBPTGS2HTR2A
SCHEMBL28700561 0.75 SLC6A4 (0.53) SLC6A4MAOAMAOBPTGS2HTR2A
Hydrochloric Acid SCHEMBL17710304 0.74 SLC6A4 (0.49) SLC6A4MAOAMAOBPTGS2HTR2A
SCHEMBL28556620 0.73 SLC6A4 (0.47) SLC6A4MAOAPTGS2
SCHEMBL19705371 0.72 SLC6A4 (0.50) SLC6A4MAOAMAOBPTGS2HTR2A
SCHEMBL1104208 0.72 SLC6A4 (0.50) SLC6A4MAOA

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-20180222902-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2018-08-09 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-20180222902-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA SLC6A4 4687/4885MAOA 4051/4885MAOB 3370/4885

“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.