SCHEMBL4864664

SCHEMBL4864664

NC1CC2CCC(C1)N2Cc1ccsc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.38
LMNA P02545 1/20 0.38
CHRNB2 P17787 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNH2 Q12809 2/20 0.34
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL21772974 0.76 CHRM2 (0.58) CHRNB2CHRNA7CHRNA4CHRM2CHRM3
SCHEMBL15021133 0.76 CHRM2 (0.58) CHRNB2CHRNA7CHRNA4CHRM2CHRM3
SCHEMBL168287 0.76 CHRM2 (0.58) CHRNB2CHRNA7CHRNA4CHRM2CHRM3
SCHEMBL168286 0.76 CHRM2 (0.58) CHRNB2CHRNA7CHRNA4CHRM2CHRM3
SCHEMBL21777244 0.76 CHRM2 (0.58) CHRNB2CHRNA7CHRNA4CHRM2CHRM3
SCHEMBL3881484 0.75 DRD2 (0.48) CHRM2MEN1KMT2ASIGMAR1
SCHEMBL3881487 0.75 DRD2 (0.48) CHRM2MEN1KMT2ASIGMAR1
SCHEMBL30833195 0.75 DRD2 (0.48) CHRM2MEN1KMT2ASIGMAR1
Hydrochloric Acid SCHEMBL4995917 0.75 CHRM2 (0.61) CHRNB2CHRNA7CHRNA4CHRM2CHRM3
Hydrochloric Acid SCHEMBL4020237 0.73 CHRM2 (0.59) CHRNB2CHRNA7CHRNA4CHRM2CHRM3

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-7456192-B2 3β-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof PIERRE FABRE MEDICAMENT (FR) 2008-11-25 US disclosed
EP-1440075-B1 NOVEL 3BETA-AMINO AZABICYCLOOCTANE HETEROAROMATIC AMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USES THEREOF PF MEDICAMENT (FR) 2005-06-08 EP disclosed
US-20050080085-A1 Novel 3beta-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof PIERRE FABRE MEDICAMENT (FR) 2005-04-14 US disclosed
EP-1440075-A1 NOVEL 3BETA-AMINO AZABICYCLOOCTANE HETEROAROMATIC AMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USES THEREOF PIERRE FABRE MEDICAMENT (FR) 2004-07-28 EP disclosed
WO-2003037904-A1 NOVEL 3BETA-AMINO AZABICYCLOOCTANE HETEROAROMATIC AMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USES THEREOF PIERRE FABRE MEDICAMENT (FR) 2003-05-08 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-20050080085-A1 Novel 3beta-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof AOC3, MAOB, AOC1 TAAR1 39/4885LMNA 3214/4885CHRNB2 117/4885

“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.