SCHEMBL5520486

SCHEMBL5520486

O=[N+]([O-])c1ccc(OCCCCO)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.57
MAPT P10636 4/20 0.57
CRHBP P24387 1/20 0.57
CRHR2 Q13324 1/20 0.57
DRD2 P14416 1/20 0.56
DRD4 P21917 1/20 0.56
DRD3 P35462 1/20 0.56
KCNH2 Q12809 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
LMNA P02545 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 1/20 0.51
GAA P10253 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
SCHEMBL28408754 0.98 HRH3 (0.60) HRH3MAPTCRHBPCRHR2DRD2
SCHEMBL26329663 0.98 HRH3 (0.60) HRH3MAPTCRHBPCRHR2DRD2
SCHEMBL31087909 0.98 HRH3 (0.60) HRH3MAPTCRHBPCRHR2DRD2
SCHEMBL8955592 0.98 HRH3 (0.60) HRH3MAPTCRHBPCRHR2DRD2
SCHEMBL3345446 0.95 DRD2 (0.58) HRH3MAPTCRHBPCRHR2DRD2
SCHEMBL9335578 0.94 HRH3 (0.56) HRH3MAPTCRHBPCRHR2DRD2
SCHEMBL6390929 0.89 PPARD (0.53) HRH3MAPTCRHBPCRHR2DRD2
SCHEMBL10336454 0.89 PTGS2 (0.62) HRH3MAPTCRHBPCRHR2KCNH2
SCHEMBL10336456 0.89 PTGS2 (0.62) HRH3MAPTCRHBPCRHR2KCNH2
SCHEMBL9788054 0.89 PTGS2 (0.62) HRH3MAPTCRHBPCRHR2KCNH2

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-20240285777-A1 INHIBITORS OF TTBK1 THE GENERAL HOSPITAL CORPORATION 2024-08-29 US disclosed
US-20070185135-A1 Drug-Polymer Conjugates PHARMAESSENTIA CORP. 2007-08-09 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 (2 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-20070185135-A1 Drug-Polymer Conjugates LNPEP, MSN, ANPEP HRH3 3304/4885MAPT 1617/4885CRHBP 287/4885
US-20240285777-A1 INHIBITORS OF TTBK1 TTBK1, TTBK2, TTK HRH3 4075/4885MAPT 64/4885CRHBP 2518/4885

“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.