SCHEMBL13834863

SCHEMBL13834863

CC(C)(CN1CCC1)Oc1ccc(Cl)nc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRNA3 P32297 2/20 0.45
▸ CHRNB2 P17787 2/20 0.45
▸ CHRNA4 P43681 2/20 0.45
▸ CHRNB1 P11230 1/20 0.45
▸ CHRNB4 P30926 1/20 0.45
▸ CHRNB3 Q05901 1/20 0.45
▸ ACVRL1 P37023 2/20 0.41
▸ ACVR1 Q04771 2/20 0.41
▸ BMPR1B O00238 1/20 0.41
▸ ACVR1B P36896 1/20 0.39

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
SCHEMBL13835368 0.83 ACVR1 (0.41) ACVRL1ACVR1BMPR1BACVR1B
SCHEMBL3662113 0.75 CHRNA3 (0.51) CHRNA3CHRNB2CHRNA4CHRNB1CHRNB4
SCHEMBL609618 0.75 ABL1 (0.40) CHRNA3CHRNB2CHRNA4CHRNB4
SCHEMBL609693 0.75 BTK (0.42) ACVRL1ACVR1BMPR1BACVR1B
Hydrochloric Acid SCHEMBL7674172 0.74 CHRNA3 (0.50) CHRNA3CHRNB2CHRNA4CHRNB1CHRNB4
Hydrochloric Acid SCHEMBL7663501 0.74 CHRNA3 (0.50) CHRNA3CHRNB2CHRNA4CHRNB1CHRNB4
SCHEMBL609721 0.73 CHRNA3 (0.38) CHRNA3CHRNB2CHRNA4CHRNB4
SCHEMBL7417658 0.73 LTA4H (0.56) CHRNA3CHRNB2CHRNA4CHRNB1CHRNB4
SCHEMBL7462908 0.72 CHRNA3 (0.51) CHRNA3CHRNB2CHRNA4CHRNB1CHRNB4
SCHEMBL3571206 0.71 ATM (0.46) ACVRL1ACVR1BMPR1BACVR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2744804-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-05-17 — — EP disclosed
EP-2744804-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-05-17 — — EP disclosed
EP-2709997-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2016-06-29 — — EP disclosed
US-8889682-B2 Inhibitors of bruton'S tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-11-18 — — US disclosed
US-8889682-B2 Inhibitors of bruton'S tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-11-18 — — US disclosed
US-8889682-B2 Inhibitors of bruton'S tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-11-18 — — US disclosed
EP-2744804-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F.HOFFMANN-LA ROCHE AG (CH) 2014-06-25 — — EP disclosed
US-8729078-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-05-20 — — US disclosed
US-8729078-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-05-20 — — US disclosed
US-8729078-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-05-20 — — US disclosed
EP-2709997-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F.HOFFMANN-LA ROCHE AG (CH) 2014-03-26 — — EP disclosed
US-20130045965-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2013-02-21 — — US disclosed
WO-2013024078-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2013-02-21 — — WO disclosed
US-20130045965-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2013-02-21 — — US disclosed
US-20130045965-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2013-02-21 — — US disclosed
US-20120295885-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2012-11-22 — — US disclosed
US-20120295885-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2012-11-22 — — US disclosed
US-20120295885-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2012-11-22 — — US disclosed
WO-2012156334-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2012-11-22 — — 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-20120295885-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN CHRNA3 4711/4885CHRNB2 4376/4885CHRNA4 4792/4885
US-20130045965-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN CHRNA3 4697/4885CHRNB2 4378/4885CHRNA4 4793/4885

“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.

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