SCHEMBL2483086

SCHEMBL2483086

CCC(C)c1nc(C)c(C(=O)O)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.42
TARBP2 Q15633 2/20 0.42
KDM4E B2RXH2 5/20 0.41
RAB9A P51151 3/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 2/20 0.40
POLB P06746 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
KMT2A Q03164 2/20 0.38
HSP90AA1 P07900 1/20 0.38
XDH P47989 2/20 0.35
ABCC4 O15439 1/20 0.35
ABCB11 O95342 1/20 0.35
PGR P06401 1/20 0.35
CHRM1 P11229 1/20 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
SCHEMBL13104307 0.86 RXFP1 (0.47) ALDH1A1HPGDTSHRSMN1; SMN2KDM4E
SCHEMBL9644290 0.83 TLR8 (0.35) ALDH1A1HPGDTSHRTARBP2TLR8
SCHEMBL18176024 0.82 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2KDM4ERAB9A
SCHEMBL2478102 0.82 ALDH1A1 (0.55) ALDH1A1HPGDTSHRSMN1; SMN2TARBP2
SCHEMBL12848866 0.74 NOS1 (0.38) TLR8TLR7
SCHEMBL9644355 0.72 L3MBTL1 (0.39) ALDH1A1HPGDTSHRSMN1; SMN2TARBP2
SCHEMBL9642790 0.71 ALDH1A1 (0.55) ALDH1A1HPGDTSHRSMN1; SMN2TARBP2
SCHEMBL2754051 0.70 ITGB1 (0.36) ALDH1A1HPGDTSHRGAAPIK3CD
Hydrochloric Acid SCHEMBL9642771 0.69 ALDH1A1 (0.53) ALDH1A1HPGDTSHRSMN1; SMN2TARBP2
SCHEMBL286332 0.69 ALDH1A1 (0.63) ALDH1A1HPGDTSHRSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1735332-B1 AZACYCLOSTEROID HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LAB (US) 2011-10-19 EP disclosed
US-20080113982-A1 AZACYCLOSTEROID HISTAMINE-3 RECEPTOR LIGANDS ZHAO CHEN 2008-05-15 US disclosed
US-7345034-B2 Azacyclosteroid histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2008-03-18 US disclosed
EP-1735332-A1 AZACYCLOSTEROID HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2006-12-27 EP disclosed
US-20050245495-A1 Azacyclosteroid histamine-3 receptor ligands ABBOTT LABORATORIES 2005-11-03 US disclosed
WO-2005100377-A1 AZACYCLOSTEROID HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2005-10-27 WO disclosed
US-20050227953-A1 Azacyclosteroid histamine-3 receptor ligands ABBVIE INC. 2005-10-13 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 (3 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-20050227953-A1 Azacyclosteroid histamine-3 receptor ligands HRH4, HRH3, HRH2 ALDH1A1 2714/4885HPGD 241/4885TSHR 304/4885
US-20050245495-A1 Azacyclosteroid histamine-3 receptor ligands HRH4, HRH3, HRH2 ALDH1A1 2714/4885HPGD 241/4885TSHR 304/4885
US-20080113982-A1 AZACYCLOSTEROID HISTAMINE-3 RECEPTOR LIGANDS HRH4, HRH3, HRH2 ALDH1A1 2714/4885HPGD 241/4885TSHR 304/4885

“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.