SCHEMBL631519

SCHEMBL631519

C#CNC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.48
GRIN2D O15399 3/20 0.48
GRIN3B O60391 3/20 0.48
GRIN1 Q05586 3/20 0.48
GRIN2A Q12879 3/20 0.48
GRIN2B Q13224 3/20 0.48
GRIN2C Q14957 3/20 0.48
GRIN3A Q8TCU5 3/20 0.48
EPHX1 P07099 1/20 0.42
SIGMAR1 Q99720 3/20 0.35
SLC22A2 O15244 1/20 0.35
SLC22A1 O15245 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
STAT6 P42226 1/20 0.35
SLC47A1 Q96FL8 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
Pyridine SCHEMBL16244234 0.82 TSHR (0.39) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8874180 0.78 GRIN2D (0.48) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3250912 0.76 EPHX2 (0.46) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL812582 0.76 EPHX2 (0.46) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL611019 0.73 EPHX2 (0.35) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL607672 0.70 GRIN2D (0.46) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11148894 0.69 GRIN2D (0.58) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1072721 0.69 GRIN2D (0.58) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL11156721 0.67 GRIN2D (0.55) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3073973 0.65 EPHX2 (1.00) EPHX2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778637-B1 FKBP-binding composition and pharmaceutical use thereof AVENTIS PHARMA INC (US) 2012-02-22 EP claimed
US-20230203022-A1 HETEROCYCLE AND GLUTARIMIDE SKELETON-BASED COMPOUND AND APPLICATIONS THEREOF SHANGHAITECH UNIVERSITY (CN) 2023-06-29 US disclosed
WO-2021219078-A1 HETEROCYCLE AND GLUTARIMIDE SKELETON-BASED COMPOUND AND APPLICATIONS THEREOF 上海科技大学 (CN) 2021-11-04 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 (1 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-20230203022-A1 HETEROCYCLE AND GLUTARIMIDE SKELETON-BASED COMPOUND AND APPLICATIONS THEREOF TNF, GCDH, LITAF EPHX2 2347/4885GRIN2D 737/4885GRIN3B 277/4885

“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.