SCHEMBL6573778

SCHEMBL6573778

C=CCC1CN(c2cccc3ccccc23)CCN1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.51
HTR7 P34969 3/20 0.51
HTR2A P28223 3/20 0.51
HTR6 P50406 3/20 0.51
HTR5A P47898 2/20 0.51
HTR3A P46098 2/20 0.51
CYP2D6 P10635 2/20 0.51
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
CYP1A2 P05177 1/20 0.51
NCF1 P14598 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
MTOR P42345 1/20 0.51
HTR3D Q70Z44 1/20 0.51
HTR3C Q8WXA8 1/20 0.51
HSD17B10 Q99714 1/20 0.51
SIGMAR1 Q99720 1/20 0.51

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
SCHEMBL4241274 0.83 HTR6 (0.55) HTR1AHTR7HTR2AHTR6HTR5A
SCHEMBL4241279 0.83 HTR6 (0.55) HTR1AHTR7HTR2AHTR6HTR5A
SCHEMBL6552760 0.77 HTR3A (0.51) HTR1AHTR5AHTR3AHTR3EHTR3B
SCHEMBL4247868 0.76 HTR6 (0.61) HTR1AHTR7HTR2AHTR6HTR5A
SCHEMBL4244450 0.76 HTR6 (0.61) HTR1AHTR7HTR2AHTR6HTR5A
SCHEMBL4244446 0.76 HTR6 (0.61) HTR1AHTR7HTR2AHTR6HTR5A
SCHEMBL877826 0.73 ADRB1 (0.35) ALDH1A1ADRB1
SCHEMBL8346145 0.72 HTR1A (0.43) HTR1AHTR7HTR2AHTR6HTR5A
SCHEMBL1255943 0.72 ADRB1 (0.51) HTR1AHTR7HTR2AHTR6HTR3A
SCHEMBL877827 0.70 ADRB1 (0.40) HTR1AHTR2AHTR1DKDM4EADRA1B

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-20040180883-A1 Pharmaceutical compounds with serotonin receptor activity GILMORE JEREMY (GB) 2004-09-16 US disclosed
EP-1409476-A1 PHARMACEUTICAL COMPOUNDS WITH SEROTONIN RECEPTOR ACTIVITY ELI LILLY AND COMPANY (US) 2004-04-21 EP disclosed
WO-2003006455-A1 PHARMACEUTICAL COMPOUNDS WITH SEROTONIN RECEPTOR ACTIVITY ELI LILLY AND COMPANY (US) 2003-01-23 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-20040180883-A1 Pharmaceutical compounds with serotonin receptor activity HTR1A, HTR5A, HTR1E HTR1A 1/4885HTR7 7/4885HTR2A 5/4885

“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.