SCHEMBL743967

SCHEMBL743967

O=C1N(c2ccc(C3CC3)cc2)CCC12CCN(S(=O)(=O)c1cccs1)CC2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.49
HRH3 Q9Y5N1 6/20 0.48
POLB P06746 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
RAB9A P51151 1/20 0.45
MAPT P10636 2/20 0.45
JAK2 O60674 1/20 0.45
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
HTR7 P34969 1/20 0.44
LIPE Q05469 1/20 0.43
EGLN1 Q9GZT9 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
SCHEMBL745047 0.83 MEN1 (0.50) PKMPOLBMEN1KMT2ARAB9A
SCHEMBL3744018 0.81 MAPK1 (0.51) PKMPOLBMEN1KMT2ARAB9A
SCHEMBL3743625 0.80 LIPE (0.68) PKMMAPTMAPK1LIPE
SCHEMBL3740078 0.80 LIPE (0.66) HRH3LIPEEGLN1
SCHEMBL750610 0.79 HTR7 (0.45) PKMMEN1KMT2ARAB9AMAPT
SCHEMBL744165 0.77 LIPE (0.56) HRH3MEN1KMT2ALIPEEGLN1
SCHEMBL745418 0.75 HRH3 (0.49) HRH3POLBMAPTALDH1A1TSHR
SCHEMBL5431852 0.75 PKM (0.47) PKMPOLBMEN1KMT2ARAB9A
SCHEMBL12303 0.74 HRH3 (0.62) HRH3LIPEEGLN1
SCHEMBL3749578 0.74 LIPE (0.63) HRH3LIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430023-B1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-11 EP claimed
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 US claimed
EP-2430023-B1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-11 EP disclosed
US-8329904-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
US-8329904-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
US-8329904-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
EP-2430023-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-21 EP disclosed
WO-2010130665-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 WO disclosed
WO-2010130665-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 WO disclosed
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 US disclosed
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 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-20100292212-A1 NEW AZACYCLIC DERIVATIVES GPR119, LDLR, LPL PKM 4056/4885HRH3 3708/4885POLB 3729/4885

“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.