SCHEMBL4585493

SCHEMBL4585493

COc1ccc(-c2nc3cccc(CC[C@H]([C@H](C)O)n4cnc(C(N)=O)c4)c3o2)cc1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADA P00813 8/20 0.82
MTNR1A P48039 5/20 0.41
MTNR1B P49286 5/20 0.41
HTR3A P46098 1/20 0.39
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
IKBKB O14920 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
THRB P10828 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
Hydrochloric Acid SCHEMBL4582807 0.99 ADA (0.81) ADAMTNR1AMTNR1BHTR3AMAPT
SCHEMBL4582912 0.91 ADA (0.86) ADAMTNR1AMTNR1B
SCHEMBL21067823 0.90 ADA (1.00) ADAMTNR1AMTNR1BHTR3A
SCHEMBL4583432 0.90 ADA (1.00) ADAMTNR1AMTNR1BHTR3A
SCHEMBL4584023 0.89 ADA (0.82) ADAMTNR1AMTNR1B
SCHEMBL4584642 0.89 ADA (0.65) ADAMTNR1AMTNR1BHTR3AMAPT
SCHEMBL4583376 0.87 ADA (0.82) ADAHTR3AMAPTIKBKBRXFP1
Hydrochloric Acid SCHEMBL4583534 0.86 ADA (0.81) ADAHTR3AMAPTIKBKBRXFP1
SCHEMBL4584299 0.84 ADA (0.74) ADAMTNR1AMTNR1BMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL4583311 0.83 ADA (0.73) ADAMTNR1AMTNR1BMAPTSMN1; SMN2

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-7317107-B2 Imidazole 4-carboxamide compounds with adenosine deaminase inhibiting activity ASTELLAS PHARMA INC. (JP) 2008-01-08 US disclosed
US-20050159462-A1 Imidazole 4-carboxamide compounds with adenosine deaminase inhibiting activity ASTELLAS PHARMA INC. (JP) 2005-07-21 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-20050159462-A1 Imidazole 4-carboxamide compounds with adenosine deaminase inhibiting activity ADA, AMPD2, AMPD1 ADA 1/4885MTNR1A 1437/4885MTNR1B 2249/4885

“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.