SCHEMBL7318324

SCHEMBL7318324

COc1ccc2cc(-c3ccc4[nH]cc(CCN)c4c3)ccc2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.78
HTR1B P28222 7/20 0.78
HTR1D P28221 7/20 0.78
HTR2A P28223 5/20 0.78
HTR2C P28335 4/20 0.78
CYP1A2 P05177 2/20 0.78
HTR7 P34969 2/20 0.78
HTR6 P50406 2/20 0.78
HTR4 Q13639 2/20 0.78
TRPM8 Q7Z2W7 2/20 0.78
MAPT P10636 1/20 0.78
TSHR P16473 1/20 0.78
NFKB1 P19838 1/20 0.78
BLM P54132 1/20 0.76
PMP22 Q01453 1/20 0.76
NPSR1 Q6W5P4 1/20 0.76
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
HTR2B P41595 2/20 0.60
CYP2D6 P10635 2/20 0.58

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
SCHEMBL7331404 0.91 HTR1A (0.79) HTR1AHTR1BHTR1DHTR2AHTR2C
5-Methoxytryptamine SCHEMBL41982 0.88 HTR1A (1.00) HTR1AHTR1BHTR1DHTR2AHTR2C
5-Methoxytryptamine SCHEMBL29390103 0.88 HTR1A (1.00) HTR1AHTR1BHTR1DHTR2AHTR2C
5-Methoxytryptamine SCHEMBL130877 0.86 HTR1A (0.97) HTR1AHTR1BHTR1DHTR2AHTR2C
5-Methoxytryptamine SCHEMBL1322980 0.86 NPSR1 (1.00) HTR1AHTR1BHTR1DHTR2AHTR2C
5-Methoxytryptamine SCHEMBL31109114 0.86 NPSR1 (1.00) HTR1AHTR1BHTR1DHTR2AHTR2C
5-Methoxytryptamine SCHEMBL26617456 0.86 HTR1A (0.97) HTR1AHTR1BHTR1DHTR2AHTR2C
5-Methoxytryptamine SCHEMBL28309973 0.84 HTR1A (0.91) HTR1AHTR1BHTR1DHTR2AHTR2C
5-Methoxytryptamine SCHEMBL28681558 0.84 HTR1A (0.91) HTR1AHTR1BHTR1DHTR2AHTR2C
Hydrochloric Acid SCHEMBL7313598 0.83 LTA4H (0.65) HTR1AHTR1BHTR1DHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010007877-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION 2001-07-12 US claimed
WO-2001034146-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO claimed
US-20010007877-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION 2001-07-12 US disclosed
WO-2001034146-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 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-20010007877-A1 NOVEL ANTI-INFECTIVES CTSL, MMP8, SERPINB1 HTR1A 4812/4885HTR1B 4686/4885HTR1D 4756/4885

“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.