SCHEMBL8066930

SCHEMBL8066930

CC(C)Oc1cccc2c1CO[C@H]1CNC[C@@H]21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.39
HTR2A P28223 1/20 0.39
HTR2B P41595 1/20 0.39
HTR6 P50406 2/20 0.36
HTR1A P08908 3/20 0.35
HTR1D P28221 3/20 0.35
HTR7 P34969 3/20 0.35
HTR5A P47898 3/20 0.35
ATM Q13315 1/20 0.34
SLC6A2 P23975 1/20 0.33
HSD11B1 P28845 1/20 0.32
MEN1 O00255 2/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32

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 SCHEMBL3023361 0.99 HTR2C (0.38) HTR2CHTR2AHTR2BHTR6HTR1A
Hydrochloric Acid SCHEMBL3023356 0.99 HTR2C (0.38) HTR2CHTR2AHTR2BHTR6HTR1A
Hydrochloric Acid SCHEMBL3023359 0.99 HTR2C (0.38) HTR2CHTR2AHTR2BHTR6HTR1A
SCHEMBL8071550 0.85 HSD11B1 (0.45) HTR2CHTR2AHTR2BHTR1ASLC6A2
Hydrochloric Acid SCHEMBL3023877 0.84 HSD11B1 (0.44) HTR2CHTR2AHTR2BHTR1ASLC6A2
Hydrochloric Acid SCHEMBL3023875 0.84 HSD11B1 (0.44) HTR2CHTR2AHTR2BHTR1ASLC6A2
Hydrochloric Acid SCHEMBL3023874 0.84 HSD11B1 (0.44) HTR2CHTR2AHTR2BHTR1ASLC6A2
SCHEMBL8056586 0.82 SLC6A2 (0.40) HTR2CHTR2AHTR2BHTR1ASLC6A2
Hydrochloric Acid SCHEMBL3018477 0.81 HTR2B (0.42) HTR2CHTR2AHTR2BHTR1ASLC6A2
Hydrochloric Acid SCHEMBL3018472 0.81 HTR2B (0.42) HTR2CHTR2AHTR2BHTR1ASLC6A2

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 HTR2C 2/4885HTR2A 10/4885HTR2B 15/4885

“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.