Sugi Predict

Sugi Predict / Compounds / SCHEMBL16015437

SCHEMBL16015437

SCHEMBL16015437

CCC(=O)N1CCC(CC)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 3/20 0.46
▸ CHRNA3 P32297 3/20 0.46
▸ CHRNA4 P43681 3/20 0.46
▸ CHRNB3 Q05901 1/20 0.46
▸ CHRNA6 Q15825 1/20 0.46
▸ EPHX2 P34913 8/20 0.45
▸ DPP8 Q6V1X1 1/20 0.44
▸ DPP7 Q9UHL4 1/20 0.44
▸ CHRNB4 P30926 2/20 0.44
▸ CHRNA7 P36544 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ EPHX1 P07099 2/20 0.42
▸ TACR3 P29371 1/20 0.41
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KAT6A Q92794 1/20 0.38
▸ KAT8 Q9H7Z6 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ GNAI3 P08754 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
SCHEMBL25633195 1.00 CHRNB2 (0.46) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL13686205 0.89 MEN1 (0.46) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL4487574 0.88 EPHX2 (0.51) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL19240729 0.87 EPHX2 (0.45) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL24456539 0.86 DPP8 (0.47) DPP8DPP7ALDH1A1TACR3MEN1
SCHEMBL16621835 0.86 CHRNB2 (0.44) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL16621833 0.86 CHRNB2 (0.44) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL12521658 0.86 DPP8 (0.47) DPP8DPP7ALDH1A1TACR3MEN1
SCHEMBL10305115 0.86 CHRNB2 (0.44) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL414239 0.85 EPHX2 (0.47) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020210785-A1 D3 RECEPTOR AGONIST COMPOUNDS; METHODS OF PREPARATION; INTERMEDIATES THEREOF; AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-10-15 — — WO disclosed
EP-3715346-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES Dana-Farber Cancer Institute (US) 2020-09-30 — — EP disclosed
EP-3670514-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2020-06-24 — — EP disclosed
WO-2018102419-A1 COMPOUNDS CONTAINING A SULFONIC GROUP AS KAT INHIBITORS Epizyme, Inc. (US) 2018-06-07 — — WO disclosed
EP-2534152-B1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-02 — — EP disclosed
US-9938234-B2 PPAR agonists SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2018-04-10 — — US disclosed
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2017-10-05 — — US disclosed
US-9745313-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-29 — — US disclosed
US-20170233411-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-08-17 — — US disclosed
US-20160362414-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-12-15 — — US disclosed
US-9453029-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-27 — — US disclosed
US-20150266894-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-09-24 — — US disclosed
US-9079918-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-14 — — US disclosed
US-20150152117-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2015-06-04 — — US disclosed
US-20140343276-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-11-20 — — US disclosed
US-8828983-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-09 — — 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 (6 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-20140343276-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 CHRNB2 4592/4885CHRNA3 4495/4885CHRNA4 4519/4885
US-20170233411-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES BTK, BCL9L, BCL9 CHRNB2 4827/4885CHRNA3 4828/4885CHRNA4 4877/4885
US-20150266894-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 CHRNB2 4592/4885CHRNA3 4495/4885CHRNA4 4519/4885
US-20160362414-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 CHRNB2 4592/4885CHRNA3 4495/4885CHRNA4 4519/4885
US-20150152117-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 CHRNB2 4746/4885CHRNA3 4658/4885CHRNA4 4767/4885
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 CHRNB2 4746/4885CHRNA3 4658/4885CHRNA4 4767/4885

“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.