SCHEMBL4503776

SCHEMBL4503776

CCc1ccc2c(CCN)c[nH]c2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 8/20 0.77
HTR1A P08908 6/20 0.77
HTR1B P28222 6/20 0.77
HTR2A P28223 9/20 0.67
HTR2C P28335 3/20 0.62
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
MPO P05164 2/20 0.56
CYP1A2 P05177 2/20 0.56
NFKB1 P19838 2/20 0.56
HTR7 P34969 2/20 0.56
HTR6 P50406 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2A6 P11509 1/20 0.56
CTSK P43235 1/20 0.56
CYP2A13 Q16696 1/20 0.56
TAAR1 Q96RJ0 1/20 0.56
PMP22 Q01453 1/20 0.54
TRPM8 Q7Z2W7 4/20 0.50

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
SCHEMBL4512060 0.87 HTR1A (1.00) HTR1DHTR1AHTR1BHTR2AHTR2C
Hydrochloric Acid SCHEMBL7809324 0.86 HTR1A (0.97) HTR1DHTR1AHTR1BHTR2AHTR2C
SCHEMBL9006903 0.84 HTR1D (0.54) HTR1DHTR1AHTR1BHTR2AHTR2C
SCHEMBL8445909 0.81 HTR1A (0.52) HTR1DHTR1AHTR1BHTR2AHTR2C
SCHEMBL11924512 0.80 HTR1A (0.51) HTR1DHTR1AHTR1BHTR2AHTR2C
SCHEMBL1971468 0.80 HTR2A (1.00) HTR1DHTR1AHTR1BHTR2AHTR2C
SCHEMBL25260689 0.80 HTR2A (0.57) HTR1DHTR1AHTR1BHTR2AHTR2C
SCHEMBL29804890 0.80 HTR2A (0.57) HTR1DHTR1AHTR1BHTR2AHTR2C
Hydrochloric Acid SCHEMBL6087688 0.79 HTR2A (0.97) HTR1DHTR1AHTR1BHTR2AHTR2C
SCHEMBL2537626 0.77 HTR2A (0.74) HTR1DHTR1AHTR1BHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022047580-A1 HYDROXYLATED PSILOCYBIN DERIVATIVES AND METHODS OF USING MAGICMED INDUSTRIES INC. (CA) 2022-03-10 WO disclosed
US-7612099-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
CN-101321749-A Novel vinylogous acid derivatives HOFFMANN LA ROCHE (CH) 2008-12-10 CN disclosed
EP-1957483-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-20 EP disclosed
WO-2007063010-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070129421-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2007-06-07 US 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-20070129421-A1 Vinylogous acid derivatives CMA1, TPSG1, TPSAB1 HTR1D 1799/4885HTR1A 1692/4885HTR1B 2428/4885

“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.