SCHEMBL894533

SCHEMBL894533

CCC(=O)N1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.50
CHRNA3 P32297 4/20 0.50
CHRNA4 P43681 4/20 0.50
CHRNB4 P30926 2/20 0.50
CHRNA7 P36544 2/20 0.50
CHRNB3 Q05901 2/20 0.50
CHRNA6 Q15825 2/20 0.50
ALDH1A1 P00352 1/20 0.48
CA2 P00918 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA9 Q16790 1/20 0.48
CHKA P35790 1/20 0.46
BLM P54132 1/20 0.44
TPSAB1 Q15661 1/20 0.43
TPSD1 Q9BZJ3 1/20 0.43
TPSG1 Q9NRR2 1/20 0.43
EPHX2 P34913 2/20 0.42
CHRM5 P08912 1/20 0.41
CHRM3 P20309 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
SCHEMBL92508 1.00 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
Hydrochloric Acid SCHEMBL8822102 0.98 CHRNB2 (0.48) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
Ammonia Solution, Strong SCHEMBL28864143 0.98 CHRNB2 (0.48) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
Hydrochloric Acid SCHEMBL8822026 0.98 CHRNB2 (0.48) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
Aziridine SCHEMBL27588415 0.93 CHRNB2 (0.52) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL13138626 0.92 CA2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL28937442 0.90 CHRNB2 (0.43) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL13198783 0.86
Pyridine SCHEMBL28846216 0.84 BLM (0.45) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL18909225 0.84 CHRNB2 (0.70) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108547-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2012-05-03 US disclosed
US-20120101065-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2012-04-26 US disclosed
US-20120083470-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2012-04-05 US disclosed
US-8067395-B2 Inhibitors of tyrosine kinases and uses thereof PHARMACYCLICS, INC. (US) 2011-11-29 US disclosed
US-20100035841-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2010-02-11 US disclosed
US-7625880-B2 Inhibitors of tyrosine kinases and uses thereof PHARMACYCLICS, INC. (US) 2009-12-01 US disclosed
US-20080039426-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2008-02-14 US 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 (5 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-20120108547-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC CHRNB2 4237/4885CHRNA3 4679/4885CHRNA4 4806/4885
US-20100035841-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC CHRNB2 4237/4885CHRNA3 4679/4885CHRNA4 4806/4885
US-20120083470-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC CHRNB2 4237/4885CHRNA3 4679/4885CHRNA4 4806/4885
US-20080039426-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC CHRNB2 4237/4885CHRNA3 4679/4885CHRNA4 4806/4885
US-20120101065-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC CHRNB2 4237/4885CHRNA3 4679/4885CHRNA4 4806/4885

“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.