SCHEMBL29937951

SCHEMBL29937951

O=C(Nc1cc(F)ccc1N1CCCC1)c1ccc(OCCCN2CCCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.61
ADRA1D P25100 4/20 0.58
ADRA1A P35348 4/20 0.58
ADRA1B P35368 4/20 0.58
MAPT P10636 1/20 0.56
NPSR1 Q6W5P4 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
RXFP1 Q9HBX9 1/20 0.53
CYP1A2 P05177 1/20 0.52
GAA P10253 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 2/20 0.50
MAOB P27338 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.48

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
SCHEMBL21296764 0.89 HRH3 (0.58) HRH3ADRA1DADRA1AADRA1BMAPT
SCHEMBL29937772 0.85 GAA (0.71) HRH3ADRA1DADRA1AADRA1BMAPT
SCHEMBL21296757 0.84 HRH3 (0.57) HRH3ADRA1DADRA1AADRA1BMAPT
SCHEMBL29938178 0.82 HRH3 (0.59) HRH3RXFP1KDM4E
SCHEMBL20198520 0.78 NPSR1 (0.72) MAPTNPSR1TDP1GAASMN1; SMN2
SCHEMBL3485720 0.76 SRPK1 (0.74) MAPTNPSR1TDP1RXFP1SMN1; SMN2
SCHEMBL22700680 0.76 SRPK1 (0.74) MAPTNPSR1TDP1RXFP1SMN1; SMN2
SCHEMBL31187476 0.76 SRPK1 (0.74) MAPTNPSR1TDP1RXFP1SMN1; SMN2
SCHEMBL29938322 0.76 ADRA1D (0.60) HRH3ADRA1DADRA1AADRA1BCYP1A2
SCHEMBL5640119 0.75 HRH3 (0.69) HRH3MAPTSMN1; SMN2KDM4EMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246943-A1 MULTIFACETED APPROACH TO NOVEL INTERLEUKIN-6 INHIBITORS University of Florida Research Fooundation, Incorporated (US) 2024-07-25 US disclosed
WO-2022226133-A1 MULTIFACETED APPROACH TO NOVEL INTERLEUKIN-6 INHIBITORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-10-27 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-20240246943-A1 MULTIFACETED APPROACH TO NOVEL INTERLEUKIN-6 INHIBITORS IL6, IL6ST, IL36G HRH3 3168/4885ADRA1D 3531/4885ADRA1A 3472/4885

“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.