SCHEMBL20569484

SCHEMBL20569484

O=Cc1cc(C2CC2)nn1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 6/20 0.49
KCNJ5 P48544 6/20 0.49
KCNJ3 P48549 6/20 0.49
DRD2 P14416 3/20 0.43
DRD4 P21917 3/20 0.43
DRD3 P35462 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
CYP19A1 P11511 1/20 0.39
ADORA1 P30542 2/20 0.39
GCGR P47871 1/20 0.39
GIPR P48546 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CRACR2A Q9BSW2 1/20 0.38
RET P07949 1/20 0.38
BRD4 O60885 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL18695197 0.76 MAPT (0.41) DRD2DRD4DRD3SMN1; SMN2ALDH1A1
SCHEMBL13946373 0.76 PTGS2 (0.48) KCNJ6KCNJ5KCNJ3ALDH1A1LMNA
SCHEMBL27166620 0.75 KCNJ6 (0.50) KCNJ6KCNJ5KCNJ3DRD2DRD4
SCHEMBL20569272 0.75 KCNJ6 (0.45) KCNJ6KCNJ5KCNJ3SMN1; SMN2ALDH1A1
SCHEMBL20568480 0.74 ALDH1A1 (0.42) KCNJ6KCNJ5KCNJ3DRD2DRD4
SCHEMBL27847464 0.74 P2RY14 (0.53)
SCHEMBL26306719 0.73 MAPT (0.57) SMN1; SMN2LMNA
SCHEMBL3720684 0.72 GRN (0.62) ALDH1A1
SCHEMBL26306785 0.72 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1LMNA
SCHEMBL24798687 0.71 HTR2C (0.58) ALDH1A1LMNA

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-20240309003-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE VIGIL NEUROSCIENCE, INC. (US) 2024-09-19 US disclosed
EP-4334295-A2 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE Vigil Neuoscience, Inc. (US) 2024-03-13 EP disclosed
CN-117597333-A Heterocyclic compounds as receptor 2-triggering agonists expressed on myeloid cells and methods of use 维吉尔神经科学股份有限公司 2024-02-23 CN disclosed
WO-2022236272-A2 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE VIGIL NEUROSCIENCE, INC. (US) 2022-11-10 WO disclosed
US-20210137886-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-05-13 US disclosed
EP-3630777-A1 INHIBITORS OF METALLO-BETA-LACTAMASES Oxford University Innovation Limited (GB) 2020-04-08 EP disclosed
WO-2018215800-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2018-11-29 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-20210137886-A1 INHIBITORS OF METALLO-BETA-LACTAMASES MGAM, GAA, LCT KCNJ6 2580/4885KCNJ5 2265/4885KCNJ3 3342/4885
US-20240309003-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE MSR1, FPR2, CD14 KCNJ6 3271/4885KCNJ5 3037/4885KCNJ3 3277/4885

“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.