SCHEMBL16192066

SCHEMBL16192066

CNC1CCC2CN(C(=O)O)CC2C1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.32
DPP4 P27487 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL28558507 0.89 ARG1 (0.35) DPP4DPP8DPP9CHRNB2CHRNB4
SCHEMBL16192183 0.89 ARG1 (0.35) DPP4DPP8DPP9CHRNB2CHRNB4
SCHEMBL28558506 0.89 ARG1 (0.35) DPP4DPP8DPP9CHRNB2CHRNB4
SCHEMBL16191794 0.88 HSD11B1 (0.35) HSD11B1
SCHEMBL16191914 0.81 JAK2 (0.33) HSD11B1DPP4DPP8DPP9
SCHEMBL30832718 0.78 HSD11B1 (0.44) HSD11B1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL16191776 0.78 NR1H2 (0.56) HSD11B1
SCHEMBL16191779 0.78 NR1H2 (0.56) HSD11B1
SCHEMBL23290986 0.77 CHRM1 (0.33) HSD11B1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL23290987 0.77 CHRM1 (0.33) HSD11B1CHRNB2CHRNB4CHRNA3CHRNA4

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-10428074-B2 Pyrrole heteroaryl ring derivative and method of use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2019-10-01 US disclosed
US-20180222912-A1 PYRROLE HETEROARYL RING DERIVATIVE AND METHOD OF USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2018-08-09 US disclosed
EP-2796460-B1 PYRROLE SIX-MEMBERED HETEROARYL RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICINAL USES THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2018-07-04 EP disclosed
US-20170044171-A1 COMPOUNDS FOR PREPARING PYRROLE SIX-MEMBERED HETEROARYL RING DERIVATIVE JIANGSU HENGRUI MEDICINE CO (CN) 2017-02-16 US disclosed
US-9527851-B2 Pyrrole six-membered heteroaryl ring derivative, preparation method thereof, and medicinal uses thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2016-12-27 US disclosed
US-20140336207-A1 PYRROLE SIX-MEMBERED HETEROARYL RING DERIVATIVE, PREPARATION METHOD THEREOF, AND MEDICINAL USES THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2014-11-13 US disclosed
EP-2796460-A1 PYRROLE SIX-MEMBERED HETEROARYL RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICINAL USES THEREOF Jiangsu Hengrui Medicine Co. Ltd. (CN) 2014-10-29 EP 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 (4 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-20180222912-A1 PYRROLE HETEROARYL RING DERIVATIVE AND METHOD OF USE THEREOF DHFR, PPOX, PAH HSD11B1 401/4885DPP4 2052/4885DPP8 1859/4885
US-20170044171-A1 COMPOUNDS FOR PREPARING PYRROLE SIX-MEMBERED HETEROARYL RING DERIVATIVE JAK2, JAK1, JAK3 HSD11B1 3278/4885DPP4 2654/4885DPP8 2568/4885
US-20140336207-A1 PYRROLE SIX-MEMBERED HETEROARYL RING DERIVATIVE, PREPARATION METHOD THEREOF, AND MEDICINAL USES THEREOF JAK1, JAK3, JAK2 HSD11B1 526/4885DPP4 1428/4885DPP8 1406/4885
US-10428074-B2 Pyrrole heteroaryl ring derivative and method of use thereof DHFR, PPOX, PAH HSD11B1 401/4885DPP4 2052/4885DPP8 1859/4885

“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.