SCHEMBL12371105

SCHEMBL12371105

CC12CC3(CN)CC(CN)(C1)CC(CN)(C2)C3

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
PKM P14618 1/20 0.31

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
SCHEMBL11884468 0.97 MEN1 (0.54) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL17586275 0.97
SCHEMBL25799601 0.94 MEN1 (0.56) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL25799592 0.87 MEN1 (0.47) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL1644239 0.83 GRIN2D (0.42) MEN1KMT2AGRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL1642487 0.79 GRIN2D (0.40) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL19242576 0.75
SCHEMBL22733059 0.73 MEN1 (0.36) MEN1KMT2A
SCHEMBL17586269 0.73
SCHEMBL21618340 0.69 GRIN2D (0.38) MEN1KMT2AGRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110200536-A1 CHELATORS, PARAMAGNETIC CHELATES THEREOF AND THEIR USE AS CONTRAST AGENTS IN MAGNETIC RESONANCE IMAGING (MRI) GE HEALTHCARE AS (NO) 2011-08-18 US disclosed
US-20100008864-A1 AROMATIC MULTIMERS MEIJER ANDREAS 2010-01-14 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 (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-20100008864-A1 AROMATIC MULTIMERS AHR, ARG2, PAH MEN1 385/4885KMT2A 2055/4885GRIN2D 2112/4885
US-20110200536-A1 CHELATORS, PARAMAGNETIC CHELATES THEREOF AND THEIR USE AS CONTRAST AGENTS IN MAGNETIC RESONANCE IMAGING (MRI) TSPO, PML, AIP MEN1 575/4885KMT2A 1119/4885GRIN2D 3841/4885

“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.