SCHEMBL3458036

SCHEMBL3458036

CN1CCc2c(sc3ncn(CCN4CCN(c5cccc(C(F)(F)F)c5)CC4)c(=O)c23)C1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 0.73
ADRA1D P25100 20/20 0.73
HTR1B P28222 20/20 0.73
ADRA1A P35348 20/20 0.73
ADRA1B P35368 20/20 0.73
DRD2 P14416 1/20 0.62
HTR2A P28223 1/20 0.62
HTR2C P28335 1/20 0.62
HTR7 P34969 1/20 0.62
DRD3 P35462 1/20 0.62

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
Hydrochloric Acid SCHEMBL6834969 0.99 HTR1A (0.72) HTR1AADRA1DHTR1BADRA1AADRA1B
Hydrochloric Acid SCHEMBL7722154 0.96 HTR1A (0.68) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7715000 0.95 HTR1A (0.66) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7715064 0.95 HTR1A (0.66) HTR1AADRA1DHTR1BADRA1AADRA1B
Hydrochloric Acid SCHEMBL7719566 0.94 HTR1A (0.65) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7676522 0.93 HTR1A (0.63) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7720143 0.92 HTR1A (0.62) HTR1AADRA1DHTR1BADRA1AADRA1B
Hydrochloric Acid SCHEMBL7722203 0.91 HTR1A (0.60) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7719376 0.90 HTR1A (0.60) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7722096 0.90 HTR1A (0.60) HTR1AADRA1DHTR1BADRA1AADRA1B

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
EP-2266570-A1 Use of binding partners for 5-HT5 receptors for treating neurodegenerative and neuropsychiatric disorders Abbott GmbH & Co. KG (DE) 2010-12-29 EP disclosed
US-20040202656-A1 Use of binding partners for 5-HT5 receptors for the treatment of neurodegenerative and neuropsychiatric disorders ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-10-14 US disclosed
EP-0927184-B1 3-SUBSTITUTED PYRIDO 4',3':4,5]THIENO 2,3-D]PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE ABBOTT GMBH & CO KG (DE) 2003-10-22 EP 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-20040202656-A1 Use of binding partners for 5-HT5 receptors for the treatment of neurodegenerative and neuropsychiatric disorders HTR5A, GRM5, GRIK5 HTR1A 8/4885ADRA1D 1765/4885HTR1B 37/4885

“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.