SCHEMBL8065177

SCHEMBL8065177

COc1ccccc1-c1cccc2c1CO[C@H]1CNC[C@@H]21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
HTR7 P34969 4/20 0.38
HTR2A P28223 2/20 0.38
HTR2B P41595 2/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR1E P28566 1/20 0.38
HTR3A P46098 1/20 0.38
HTR5A P47898 1/20 0.38
HTR6 P50406 1/20 0.38
HTR2C P28335 3/20 0.37
UGCG Q16739 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 SCHEMBL3020553 0.99 HTR2C (0.38) HSD11B1HTR7HTR2AHTR2BHTR1A
Hydrochloric Acid SCHEMBL3020550 0.99 HTR2C (0.38) HSD11B1HTR7HTR2AHTR2BHTR1A
Hydrochloric Acid SCHEMBL3020548 0.99 HTR2C (0.38) HSD11B1HTR7HTR2AHTR2BHTR1A
SCHEMBL8071550 0.88 HSD11B1 (0.45) HSD11B1HTR2AHTR2BHTR1AHTR2C
Hydrochloric Acid SCHEMBL3023877 0.87 HSD11B1 (0.44) HSD11B1HTR2AHTR2BHTR1AHTR2C
Hydrochloric Acid SCHEMBL3023874 0.87 HSD11B1 (0.44) HSD11B1HTR2AHTR2BHTR1AHTR2C
Hydrochloric Acid SCHEMBL3023875 0.87 HSD11B1 (0.44) HSD11B1HTR2AHTR2BHTR1AHTR2C
SCHEMBL8056572 0.81 CHRNB2 (0.46) HTR7HTR2AHTR2BHTR1AHTR6
SCHEMBL8070678 0.81 CHRNB2 (0.36) HTR7HTR2AHTR2BHTR1AHTR6
Hydrochloric Acid SCHEMBL3027043 0.80 CHRNB2 (0.44) HTR7HTR2AHTR2BHTR1AHTR6

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 95/4885HTR7 12/4885HTR2A 10/4885

“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.