SCHEMBL4579072

SCHEMBL4579072

C[C@H](NC[C@@H]1CCN(CCc2c[nH]c3ccc(-n4cncn4)cc23)C1)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.77
HTR1B P28222 20/20 0.77
HTR1A P08908 2/20 0.59
HTR2A P28223 2/20 0.59

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
SCHEMBL4334519 0.90 HTR1D (0.78) HTR1DHTR1BHTR1AHTR2A
SCHEMBL4578567 0.87 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2A
SCHEMBL4577448 0.87 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2A
SCHEMBL7479327 0.87 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2A
SCHEMBL4578535 0.86 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2A
SCHEMBL7479428 0.79 HTR1D (0.55) HTR1DHTR1BHTR1AHTR2A
SCHEMBL7479436 0.79 HTR1D (0.55) HTR1DHTR1BHTR1AHTR2A
SCHEMBL7479431 0.79 HTR1D (0.55) HTR1DHTR1BHTR1AHTR2A
SCHEMBL7474266 0.78 HTR1D (1.00) HTR1DHTR1B
SCHEMBL4355208 0.78 HTR1D (1.00) HTR1DHTR1B

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 4 patents. 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 claimed
EP-0925302-B1 PALLADIUM CATALYZED INDOLIZATION MERCK & CO INC (US) 2002-11-20 EP claimed
US-20080096859-A1 Compositions and Methods for Treating Ophthalmic Diseases MERCK SHARP & DOHME CORP. 2008-04-24 US disclosed
EP-0925302-B1 PALLADIUM CATALYZED INDOLIZATION MERCK & CO INC (US) 2002-11-20 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-20080096859-A1 Compositions and Methods for Treating Ophthalmic Diseases CXCL12, CXCR4, CX3CR1 HTR1D 3404/4885HTR1B 3286/4885HTR1A 3110/4885

“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.