SCHEMBL6399043

SCHEMBL6399043

Cc1ccc2c(OCCN3CCC(Cc4ccc(F)c(-c5ccncc5)c4)CC3)cccc2n1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 0.78
HTR1D P28221 20/20 0.78
HTR1B P28222 20/20 0.78
ADRB2 P07550 1/20 0.60
DRD2 P14416 1/20 0.60
HTR2A P28223 1/20 0.60
HTR1E P28566 1/20 0.60
HTR1F P30939 1/20 0.60
SLC6A4 P31645 1/20 0.60
HTR7 P34969 1/20 0.60
ADRA1B P35368 1/20 0.60
HTR2B P41595 1/20 0.60
HTR5A P47898 1/20 0.60

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
SCHEMBL6398194 0.88 HTR1A (1.00) HTR1AHTR1DHTR1BADRB2DRD2
SCHEMBL6393143 0.84 HTR1A (0.73) HTR1AHTR1DHTR1BADRB2DRD2
SCHEMBL5212911 0.83 HTR1A (0.76) HTR1AHTR1DHTR1BADRB2DRD2
SCHEMBL6397811 0.83 HTR1A (0.76) HTR1AHTR1DHTR1BADRB2DRD2
SCHEMBL6398686 0.82 HTR1A (1.00) HTR1AHTR1DHTR1BADRB2DRD2
SCHEMBL6395407 0.82 HTR1A (0.77) HTR1AHTR1DHTR1BADRB2DRD2
SCHEMBL6393225 0.81 HTR1A (1.00) HTR1AHTR1DHTR1BADRB2DRD2
SCHEMBL5210689 0.81 HTR1A (0.83) HTR1AHTR1DHTR1BADRB2DRD2
SCHEMBL6393656 0.81 HTR1D (0.55) HTR1AHTR1DHTR1BADRB2DRD2
SCHEMBL5213305 0.80 HTR1A (0.78) HTR1AHTR1DHTR1BADRB2DRD2

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-20050176724-A1 Piperidine and piperazine derivatives possessing affinity at 5ht-1 type receptors GLAXO GROUP LIMITED (GB) 2005-08-11 US disclosed
EP-1476161-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES POSSESSING AFFINITY AT 5HT-1 TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2004-11-17 EP disclosed
WO-2003068236-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES POSSESSING AFFINITY AT 5HT-1 TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2003-08-21 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-20050176724-A1 Piperidine and piperazine derivatives possessing affinity at 5ht-1 type receptors HTR5A, HTR2C, HTR3C HTR1A 4/4885HTR1D 9/4885HTR1B 8/4885

“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.