SCHEMBL8056572

SCHEMBL8056572

c1ccc(-c2cccc3c2CO[C@H]2CNC[C@@H]32)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
PRCP P42785 1/20 0.38
HTR2B P41595 4/20 0.37
HTR2C P28335 3/20 0.37
HTR2A P28223 2/20 0.37
HTR6 P50406 1/20 0.36
PARP10 Q53GL7 1/20 0.35
PARP11 Q9NR21 1/20 0.35
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33

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 SCHEMBL3027043 0.99 CHRNB2 (0.44) CHRNB2CHRNA4PRCPHTR2BHTR2C
Hydrochloric Acid SCHEMBL3027041 0.99 CHRNB2 (0.44) CHRNB2CHRNA4PRCPHTR2BHTR2C
Hydrochloric Acid SCHEMBL3027045 0.99 CHRNB2 (0.44) CHRNB2CHRNA4PRCPHTR2BHTR2C
SCHEMBL8070678 0.85 CHRNB2 (0.36) CHRNB2CHRNA4HTR2BHTR2CHTR2A
Hydrochloric Acid SCHEMBL3028782 0.83 HTR2C (0.36) CHRNB2CHRNA4HTR2BHTR2CHTR2A
Hydrochloric Acid SCHEMBL3028775 0.83 HTR2C (0.36) CHRNB2CHRNA4HTR2BHTR2CHTR2A
Hydrochloric Acid SCHEMBL3028776 0.83 HTR2C (0.36) CHRNB2CHRNA4HTR2BHTR2CHTR2A
Hydrochloric Acid SCHEMBL3024997 0.82 ADRA1A (0.32) CHRNB2CHRNA4HTR2BHTR2CHTR2A
Hydrochloric Acid SCHEMBL3025004 0.82 ADRA1A (0.32) CHRNB2CHRNA4HTR2BHTR2CHTR2A
Hydrochloric Acid SCHEMBL3024999 0.82 ADRA1A (0.32) CHRNB2CHRNA4HTR2BHTR2CHTR2A

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 CHRNB2 265/4885CHRNA4 131/4885PRCP 1426/4885

“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.