SCHEMBL2981069

SCHEMBL2981069

C=CCNC(=O)C1CC2CNCC2C1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.61
CHRNB2 P17787 7/20 0.55
CHRNA4 P43681 7/20 0.55
CHRNA7 P36544 6/20 0.55
CHRNB4 P30926 6/20 0.50
CHRNA3 P32297 6/20 0.50
NPSR1 Q6W5P4 1/20 0.49
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL9906306 1.00 KMT2A (0.61) KMT2ACHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL2301489 0.85 KMT2A (0.70) KMT2ACHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL2991760 0.84 KMT2A (0.59) KMT2ACHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL8313919 0.77
SCHEMBL2991035 0.76 CHRNB2 (0.66) KMT2ACHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL23861292 0.73 KMT2A (0.84) KMT2ANPSR1TSHRALDH1A1KDM4E
SCHEMBL29043353 0.73 KMT2A (0.84) KMT2ANPSR1TSHRALDH1A1KDM4E
SCHEMBL7765233 0.72 KMT2A (0.49) KMT2ANPSR1TSHRALDH1A1KDM4E
SCHEMBL11015380 0.72 KMT2A (0.81) KMT2ANPSR1TSHRALDH1A1KDM4E
SCHEMBL2731577 0.71 KMT2A (0.52) KMT2ANPSR1TSHRALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139857-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES Targacept Inc. (US) 2010-01-06 EP claimed
WO-2008121686-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES TARGACEPT, INC. (US) 2008-10-09 WO claimed
US-8198296-B2 Sub-type selective azabicycloalkane derivatives TARGACEPT, INC. (US) 2012-06-12 US disclosed
US-20100173968-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES TARGACEPT, INC. (US) 2010-07-08 US disclosed
EP-2139857-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES Targacept Inc. (US) 2010-01-06 EP disclosed
WO-2008121686-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES TARGACEPT, INC. (US) 2008-10-09 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-20100173968-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES CHRNB2, CHRNB4, CHRNA4 KMT2A 1990/4885CHRNB2 1/4885CHRNA4 3/4885

“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.