SCHEMBL5757274

SCHEMBL5757274

Cc1cc(C)c2cc(C3CCNCC3)sc2c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.40
HTR2C P28335 6/20 0.39
GABRA1 P14867 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2D6 P10635 1/20 0.34
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
CHRM4 P08173 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PSMB5 P28074 1/20 0.31

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
SCHEMBL5758577 0.84 HTR1A (0.40) HTR1ASLC6A4
SCHEMBL7513834 0.84 HTR1A (0.40) HTR1ASLC6A4
SCHEMBL5758345 0.84 HTR1A (0.40) HTR1ASLC6A4
SCHEMBL5758581 0.84 HTR1A (0.40) HTR1ASLC6A4
SCHEMBL5758789 0.79 HTR2C (0.49) HTR1AHTR2CMEN1KMT2ASLC6A2
SCHEMBL5758221 0.74 HTR2C (0.46) HTR1AHTR2CGABRA1GABRG2GABRB3
Hydrochloric Acid SCHEMBL7099912 0.73 HTR2C (0.47) HTR1AHTR2CGABRA1GABRG2GABRB3
SCHEMBL5584362 0.72 HTR2C (0.44) HTR2CGABRA1GABRG2GABRB3CHRM4
SCHEMBL5546531 0.71 HTR2C (0.48) HTR2CGABRA1GABRG2GABRB3MEN1
SCHEMBL5758016 0.69 L3MBTL1 (0.44) HTR1AHTR2CMEN1KMT2ASLC6A2

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-7144898-B2 Indole derivatives for the treatment of depression and anxiety ELI LILLY AND COMPANY (US) 2006-12-05 US disclosed
EP-1242411-B1 INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AND ANXIETY LILLY CO ELI (US) 2006-03-08 EP disclosed
US-20040006229-A1 Indole derivatives for the treatment of depression and anxiety ELI LILLY AND COMPANY 2004-01-08 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-20040006229-A1 Indole derivatives for the treatment of depression and anxiety IDO1, TPH1, IDO2 HTR1A 4/4885HTR2C 13/4885GABRA1 365/4885

“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.