SCHEMBL6099596

SCHEMBL6099596

O=C(NC1CC2CNC1C2)c1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.56
CRBN Q96SW2 1/20 0.49
KDM4E B2RXH2 3/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 2/20 0.45
AGTR1 P30556 1/20 0.45
OPRK1 P41145 1/20 0.45
RECQL P46063 1/20 0.45
SMYD3 Q9H7B4 1/20 0.44
GAA P10253 4/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL6097532 0.83 GRM5 (0.39) GRM5CRBNALDH1A1CHRNB2CHRNB4
SCHEMBL6101485 0.78 GRM5 (0.40) GRM5
SCHEMBL6098568 0.77 GRM5 (0.53) GRM5CRBNKDM4ERAB9AMAPT
SCHEMBL6101770 0.76 GRM5 (0.59) GRM5CRBNKDM4ERAB9AMAPT
SCHEMBL6099010 0.76 CHRNB2 (0.33) GRM5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6099246 0.76 SSTR3 (0.34) GRM5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6100546 0.75 SSTR3 (0.34) GRM5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6099391 0.75 GRM5 (0.34) GRM5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6098752 0.75 CHRNB2 (0.35) SMYD3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6100054 0.75 CHRNB2 (0.35) SMYD3CHRNB2CHRNB4CHRNA3CHRNA4

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-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
US-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US disclosed
EP-1478646-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 EP disclosed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003072578-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 WO 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-20030236270-A1 Azabicyclic compounds for the treatment of disease MALT1, TPMT, CYP2B6 GRM5 1965/4885CRBN 1692/4885KDM4E 1589/4885

“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.