SCHEMBL8257686

SCHEMBL8257686

Cn1c(=O)oc2cc(N3CCNCC3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPK1 P28482 2/20 0.49
TSHR P16473 2/20 0.48
PKM P14618 1/20 0.48
ASAH1 Q13510 1/20 0.47
CYP11B2 P19099 1/20 0.47
POLB P06746 1/20 0.47
HTR1A P08908 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
ADRB1 P08588 3/20 0.46
LMNA P02545 3/20 0.46
HPGD P15428 1/20 0.44
MAPT P10636 1/20 0.43
KHK P50053 1/20 0.42

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 SCHEMBL23122038 0.99 ASAH1 (0.49) MEN1KMT2AALDH1A1MAPK1TSHR
SCHEMBL24793517 0.87 USP2 (0.46) MEN1KMT2AALDH1A1MAPK1TSHR
Hydrochloric Acid SCHEMBL23122662 0.86 USP2 (0.45) MEN1KMT2AALDH1A1MAPK1TSHR
SCHEMBL24792697 0.83 KHK (0.46) MEN1KMT2AALDH1A1MAPK1TSHR
SCHEMBL24792694 0.83 KHK (0.46) MEN1KMT2AALDH1A1MAPK1TSHR
SCHEMBL24793524 0.83 TSHR (0.44) MEN1KMT2AALDH1A1MAPK1TSHR
SCHEMBL24793515 0.83 MEN1 (0.46) MEN1KMT2AALDH1A1MAPK1TSHR
Hydrochloric Acid SCHEMBL23122844 0.82 TSHR (0.43) MEN1KMT2AALDH1A1MAPK1TSHR
Hydrochloric Acid SCHEMBL23122890 0.82 KHK (0.45) MEN1KMT2AALDH1A1MAPK1TSHR
Hydrochloric Acid SCHEMBL23122141 0.82 KHK (0.45) MEN1KMT2AALDH1A1MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402901-A1 SUBSTITUTED N-HETEROCYCLIC CARBOXAMIDES AS ACID CERAMIDASE INHIBITORS AND THEIR USE AS MEDICAMENTS BIAL R&D INVEST S A (PT) 2022-12-22 US disclosed
US-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 US disclosed
US-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 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-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 MEN1 4658/4885KMT2A 2995/4885ALDH1A1 591/4885
US-20220402901-A1 SUBSTITUTED N-HETEROCYCLIC CARBOXAMIDES AS ACID CERAMIDASE INHIBITORS AND THEIR USE AS MEDICAMENTS ASAH2, ASAH1, GBA1 MEN1 1132/4885KMT2A 1118/4885ALDH1A1 1191/4885

“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.