SCHEMBL7108872

SCHEMBL7108872

OC[C@@H]1CNCC2Cc3ccc(C(F)(F)F)cc3N21

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 15/20 0.67
HTR2A P28223 13/20 0.67
HTR2B P41595 13/20 0.67
HTR6 P50406 2/20 0.43
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37

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
SCHEMBL5361508 1.00 HTR2C (0.67) HTR2CHTR2AHTR2BHTR6CHRNB2
SCHEMBL5356715 1.00 HTR2C (0.67) HTR2CHTR2AHTR2BHTR6CHRNB2
SCHEMBL7149618 1.00 HTR2C (0.67) HTR2CHTR2AHTR2BHTR6CHRNB2
SCHEMBL5356719 1.00 HTR2C (0.67) HTR2CHTR2AHTR2BHTR6CHRNB2
SCHEMBL7151742 1.00 HTR2C (0.67) HTR2CHTR2AHTR2BHTR6CHRNB2
SCHEMBL5356369 0.81 HTR2A (1.00) HTR2CHTR2AHTR2B
SCHEMBL7163478 0.81 HTR2A (1.00) HTR2CHTR2AHTR2B
SCHEMBL5363433 0.81 HTR2A (1.00) HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL5358949 0.80 HTR2A (0.97) HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL5359144 0.80 HTR2A (0.97) HTR2CHTR2AHTR2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles F. HOFFMANN-LA ROCHE AG (CH) 2003-11-20 US claimed

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-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles GPR119, INSR, IRS1 HTR2C 65/4885HTR2A 78/4885HTR2B 203/4885

“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.