SCHEMBL16892003

SCHEMBL16892003

Clc1ncc(CN2CC3CNCC3C2)cn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.37
CHRNB4 P30926 6/20 0.37
CHRNA3 P32297 6/20 0.37
CHRNA4 P43681 6/20 0.37
CHRNA7 P36544 1/20 0.36
OPRK1 P41145 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL16891977 1.00 CHRNB2 (0.37) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL20311167 0.83 OPRK1 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL16891543 0.83 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18204024 0.80 CHRNA7 (0.39) CHRNA7HDAC3HDAC4HDAC1HDAC7
SCHEMBL16892028 0.80 CHRNA7 (0.39) CHRNA7HDAC3HDAC4HDAC1HDAC7
SCHEMBL16892082 0.80 CHRNA7 (0.39) CHRNA7HDAC3HDAC4HDAC1HDAC7
SCHEMBL16891976 0.80 CHRNA7 (0.39) CHRNA7HDAC3HDAC4HDAC1HDAC7
SCHEMBL21276280 0.77 ALDH1A1 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL16892025 0.76 HDAC3 (0.36) CHRNA7HDAC3HDAC4HDAC1HDAC7
SCHEMBL477142 0.75 FUCA1 (0.55) OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3091008-B1 KINASE INHIBITOR AND USE THEREOF XUANZHU PHARMA CO LTD (CN) 2018-06-27 EP disclosed
US-9949976-B2 Kinase inhibitor and use thereof Xuanzhu Pharma Co., Ltd. (CN) 2018-04-24 US disclosed
US-9949976-B2 Kinase inhibitor and use thereof Xuanzhu Pharma Co., Ltd. (CN) 2018-04-24 US disclosed
US-9949976-B2 Kinase inhibitor and use thereof Xuanzhu Pharma Co., Ltd. (CN) 2018-04-24 US disclosed
US-20180000819-A1 KINASE INHIBITOR AND USE THEREOF Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2018-01-04 US disclosed
US-20180000819-A1 KINASE INHIBITOR AND USE THEREOF Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2018-01-04 US disclosed
US-9796701-B2 Kinase inhibitor and use thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-10-24 US disclosed
US-9796701-B2 Kinase inhibitor and use thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-10-24 US disclosed
US-9796701-B2 Kinase inhibitor and use thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-10-24 US disclosed
US-20160332989-A1 Kinase Inhibitor And Use Thereof Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2016-11-17 US disclosed
US-20160332989-A1 Kinase Inhibitor And Use Thereof Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2016-11-17 US disclosed
US-20160332989-A1 Kinase Inhibitor And Use Thereof Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2016-11-17 US disclosed
EP-3091008-A1 KINASE INHIBITOR AND USE THEREOF Xuanzhu Pharma Co., Ltd. (CN) 2016-11-09 EP disclosed
WO-2015101293-A1 KINASE INHIBITOR AND USE THEREOF 山东轩竹医药科技有限公司 2015-07-09 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 (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-20160332989-A1 Kinase Inhibitor And Use Thereof CDK4, CDK6, CDK3 CHRNB2 4861/4885CHRNB4 4821/4885CHRNA3 4741/4885
US-20180000819-A1 KINASE INHIBITOR AND USE THEREOF CDK4, CDK6, CDK3 CHRNB2 4861/4885CHRNB4 4821/4885CHRNA3 4741/4885

“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.