SCHEMBL8056586

SCHEMBL8056586

CCOc1cccc2c1CO[C@H]1CNC[C@@H]21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.40
HTR2B P41595 5/20 0.40
SLC6A4 P31645 5/20 0.40
SLC6A3 Q01959 5/20 0.40
HTR2A P28223 4/20 0.40
ADRB2 P07550 2/20 0.40
HTR1A P08908 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2C P28335 5/20 0.40
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
OPRK1 P41145 2/20 0.36
MLNR O43193 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP3A4 P08684 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
Hydrochloric Acid SCHEMBL3018472 0.99 HTR2B (0.42) SLC6A2HTR2BSLC6A4SLC6A3HTR2A
Hydrochloric Acid SCHEMBL3018479 0.99 HTR2B (0.42) SLC6A2HTR2BSLC6A4SLC6A3HTR2A
Hydrochloric Acid SCHEMBL3018477 0.99 HTR2B (0.42) SLC6A2HTR2BSLC6A4SLC6A3HTR2A
SCHEMBL8071550 0.85 HSD11B1 (0.45) SLC6A2HTR2BSLC6A4SLC6A3HTR2A
Hydrochloric Acid SCHEMBL3023875 0.84 HSD11B1 (0.44) SLC6A2HTR2BSLC6A4SLC6A3HTR2A
Hydrochloric Acid SCHEMBL3023874 0.84 HSD11B1 (0.44) SLC6A2HTR2BSLC6A4SLC6A3HTR2A
Hydrochloric Acid SCHEMBL3023877 0.84 HSD11B1 (0.44) SLC6A2HTR2BSLC6A4SLC6A3HTR2A
SCHEMBL8066930 0.82 HTR2C (0.39) SLC6A2HTR2BHTR2AHTR1AHTR2C
Hydrochloric Acid SCHEMBL3023356 0.81 HTR2C (0.38) SLC6A2HTR2BSLC6A3HTR2AHTR1A
Hydrochloric Acid SCHEMBL3023361 0.81 HTR2C (0.38) SLC6A2HTR2BSLC6A3HTR2AHTR1A

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
US-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON 2010-08-19 US disclosed
US-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON 2010-08-19 US disclosed
WO-2009037220-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2009-03-26 WO 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-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES TPH1, HTR2C, TPH2 SLC6A2 66/4885HTR2B 15/4885SLC6A4 22/4885

“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.