SCHEMBL4579998

SCHEMBL4579998

OC[C@H](NC[C@@H]1CCN(CCc2cn(Cn3cncn3)c3ccccc23)C1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 18/20 0.52
▸ HTR1B P28222 18/20 0.52
▸ CYP19A1 P11511 2/20 0.41
▸ HTR1A P08908 2/20 0.35
▸ HTR2A P28223 2/20 0.35

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
SCHEMBL4578696 0.80 HTR1D (0.82) HTR1DHTR1BHTR1AHTR2A
SCHEMBL4334519 0.76 HTR1D (0.78) HTR1DHTR1BHTR1AHTR2A
SCHEMBL8662290 0.72 CYP19A1 (0.57) CYP19A1
SCHEMBL4577556 0.69 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2A
SCHEMBL4578909 0.69 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2A
SCHEMBL7477276 0.69 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2A
SCHEMBL4578535 0.69 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2A
SCHEMBL8662293 0.59 CYP19A1 (0.44) CYP19A1
SCHEMBL6882564 0.59 MAN2B1 (0.50) HTR2A
SCHEMBL8539485 0.57 HRH3 (0.51) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096859-A1 Compositions and Methods for Treating Ophthalmic Diseases MERCK SHARP & DOHME CORP. 2008-04-24 — — 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 (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-20080096859-A1 Compositions and Methods for Treating Ophthalmic Diseases CXCL12, CXCR4, CX3CR1 HTR1D 3404/4885HTR1B 3286/4885CYP19A1 2786/4885

“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.

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