SCHEMBL6108396

SCHEMBL6108396

O=C1CCC[C@@H]2CCCN(C(=O)O)[C@H]12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
RIPK1 Q13546 1/20 0.33
CREBBP Q92793 1/20 0.33
POLB P06746 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MCL1 Q07820 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL6108395 1.00 SMN1; SMN2 (0.36) SMN1; SMN2NPC1RAB9ARIPK1CREBBP
SCHEMBL6108399 1.00 SMN1; SMN2 (0.36) SMN1; SMN2NPC1RAB9ARIPK1CREBBP
SCHEMBL6106465 0.93 SMN1; SMN2 (0.36) SMN1; SMN2NPC1RAB9ARIPK1CREBBP
SCHEMBL6106457 0.93 SMN1; SMN2 (0.36) SMN1; SMN2NPC1RAB9ARIPK1CREBBP
SCHEMBL6108649 0.93 CREBBP (0.33) SMN1; SMN2NPC1RAB9ACREBBPMCL1
SCHEMBL6106460 0.93 SMN1; SMN2 (0.36) SMN1; SMN2NPC1RAB9ARIPK1CREBBP
SCHEMBL6108641 0.93 CREBBP (0.33) SMN1; SMN2NPC1RAB9ACREBBPMCL1
SCHEMBL6106289 0.84 CREBBP (0.34) CREBBPMCL1
SCHEMBL6106608 0.84 RIPK1 (0.37) SMN1; SMN2NPC1RAB9ARIPK1POLB
SCHEMBL6106605 0.84 RIPK1 (0.37) SMN1; SMN2NPC1RAB9ARIPK1POLB

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-7135484-B2 Azabicyclic compounds are central nervous system active agents ABBOTT LABORATORIES (US) 2006-11-14 US disclosed
EP-1539733-A2 AZABICYCLIC COMPOUNDS ARE CENTRAL NERVOUS SYSTEM ACTIVE AGENTS Abbott Laboratories (US) 2005-06-15 EP disclosed
US-20040152724-A1 Azabicyclic compounds are central nervous system active agents ABBVIE INC. 2004-08-05 US disclosed
US-20040044029-A1 Azabicyclic compounds are central nervous system active agents ABBOTT LABORATORIES 2004-03-04 US disclosed
WO-2004016604-A2 AZABICYCLIC COMPOUNDS ARE CENTRAL NERVOUS SYSTEM ACTIVE AGENTS ABBOTT LABORATORIES (US) 2004-02-26 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 (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-20040152724-A1 Azabicyclic compounds are central nervous system active agents ACHE, CHRNA6, CHRNA2 SMN1; SMN2 215/4885NPC1 654/4885RAB9A 2352/4885
US-20040044029-A1 Azabicyclic compounds are central nervous system active agents ACHE, CHRNA6, CHRNA2 SMN1; SMN2 215/4885NPC1 654/4885RAB9A 2352/4885

“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.