SCHEMBL6098568

SCHEMBL6098568

O=C(NC1CC2CC1CN2)c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.53
SMYD3 Q9H7B4 1/20 0.48
CRBN Q96SW2 1/20 0.47
KDM4E B2RXH2 4/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 3/20 0.44
MAPT P10636 2/20 0.43
AGTR1 P30556 1/20 0.43
OPRK1 P41145 1/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 1/20 0.43
CHRNB2 P17787 2/20 0.43
CHRNA7 P36544 2/20 0.43
CHRNA4 P43681 2/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL6099320 0.83 P2RX7 (0.43) GRM5KDM4ECHRNB2CHRNA7CHRNA4
SCHEMBL6100353 0.82 MAOB (0.44) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL6098618 0.79 GRM5 (0.40) GRM5SMYD3KDM4EMAPTRAB9A
SCHEMBL6099485 0.79 NPC1 (0.39) GRM5SMYD3KMT2ARAB9ASMN1; SMN2
SCHEMBL6101770 0.77 GRM5 (0.59) GRM5SMYD3CRBNKDM4EKMT2A
SCHEMBL6099596 0.77 GRM5 (0.56) GRM5SMYD3CRBNKDM4EKMT2A
SCHEMBL6100152 0.77 SSTR3 (0.39) GRM5RAB9ACHRNB2CHRNA4CHRNB4
SCHEMBL6099172 0.77 SSTR3 (0.34) GRM5CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6099424 0.76 SSTR3 (0.38) GRM5CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6101077 0.76 CHRNB2 (0.35) SMYD3CHRNB2CHRNA7CHRNA4CHRNB4

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 1965/4885SMYD3 2213/4885CRBN 1692/4885

“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.