SCHEMBL16192183

SCHEMBL16192183

CNC1CC2CN(C(=O)O)CC2C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 2/20 0.35
CHRNB2 P17787 6/20 0.33
CHRNB4 P30926 6/20 0.33
CHRNA3 P32297 6/20 0.33
CHRNA4 P43681 6/20 0.33
GRIN2B Q13224 2/20 0.33
NR1H2 P55055 1/20 0.32
CHRNA7 P36544 4/20 0.32
DPP4 P27487 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 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
SCHEMBL28558506 1.00 ARG1 (0.35) ARG1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL28558507 1.00 ARG1 (0.35) ARG1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL16192066 0.89 HSD11B1 (0.32) CHRNB2CHRNB4CHRNA3CHRNA4DPP4
SCHEMBL16191914 0.87 JAK2 (0.33) GRIN2BDPP4DPP8DPP9
SCHEMBL4042893 0.82
SCHEMBL31560430 0.82 NR1H2 (0.32) ARG1NR1H2
SCHEMBL1439352 0.79
SCHEMBL26918602 0.79
SCHEMBL28453777 0.79 NR1H2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4GRIN2B
SCHEMBL16191794 0.77 HSD11B1 (0.35)

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 ARG1 2146/4885CHRNB2 4794/4885CHRNB4 4812/4885
US-20170044171-A1 COMPOUNDS FOR PREPARING PYRROLE SIX-MEMBERED HETEROARYL RING DERIVATIVE JAK2, JAK1, JAK3 ARG1 2148/4885CHRNB2 4843/4885CHRNB4 4849/4885
US-20140336207-A1 PYRROLE SIX-MEMBERED HETEROARYL RING DERIVATIVE, PREPARATION METHOD THEREOF, AND MEDICINAL USES THEREOF JAK1, JAK3, JAK2 ARG1 1403/4885CHRNB2 4885/4885CHRNB4 4880/4885
US-10428074-B2 Pyrrole heteroaryl ring derivative and method of use thereof DHFR, PPOX, PAH ARG1 2146/4885CHRNB2 4794/4885CHRNB4 4812/4885

“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.