SCHEMBL8071550

SCHEMBL8071550

COc1cccc2c1CO[C@H]1CNC[C@@H]21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.45
HTR1A P08908 6/20 0.39
ADRA2A P08913 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1B P35368 1/20 0.38
HTR2C P28335 4/20 0.38
HTR2A P28223 3/20 0.35
HTR2B P41595 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
DRD2 P14416 1/20 0.35

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 SCHEMBL3023874 0.99 HSD11B1 (0.44) HSD11B1HTR1AADRA2AADRA1AADRA1D
Hydrochloric Acid SCHEMBL3023877 0.99 HSD11B1 (0.44) HSD11B1HTR1AADRA2AADRA1AADRA1D
Hydrochloric Acid SCHEMBL3023875 0.99 HSD11B1 (0.44) HSD11B1HTR1AADRA2AADRA1AADRA1D
SCHEMBL8065177 0.88 HSD11B1 (0.38) HSD11B1HTR1AHTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL3020550 0.87 HTR2C (0.38) HSD11B1HTR1AHTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL3020548 0.87 HTR2C (0.38) HSD11B1HTR1AHTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL3020553 0.87 HTR2C (0.38) HSD11B1HTR1AHTR2CHTR2AHTR2B
SCHEMBL8066930 0.85 HTR2C (0.39) HSD11B1HTR1AHTR2CHTR2AHTR2B
SCHEMBL8056586 0.85 SLC6A2 (0.40) HTR1AADRA1AHTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL3018477 0.84 HTR2B (0.42) HTR1AADRA1AHTR2CHTR2AHTR2B

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 HSD11B1 95/4885HTR1A 7/4885ADRA2A 335/4885

“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.