SCHEMBL2600205

SCHEMBL2600205

O=C(CCN1CCC(Cc2ccc3c(c2)OCO3)CC1)N1CCSc2cc(CO)c(CO)cc2C1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 9/20 0.55
KCNH2 Q12809 3/20 0.53
MCHR1 Q99705 4/20 0.43
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CCR3 P51677 1/20 0.41
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL2600208 0.93 RYR2 (0.53) RYR2KCNH2MCHR1MEN1ALDH1A1
SCHEMBL2600206 0.92 RYR2 (0.59) RYR2KCNH2MCHR1MEN1ALDH1A1
SCHEMBL2600718 0.89 RYR2 (0.61) RYR2KCNH2MCHR1ALDH1A1
SCHEMBL2600199 0.88 RYR2 (0.60) RYR2KCNH2MCHR1CCR3
SCHEMBL2600207 0.88 RYR2 (0.60) RYR2KCNH2MCHR1MEN1ALDH1A1
SCHEMBL2600715 0.87 RYR2 (0.66) RYR2KCNH2MCHR1
SCHEMBL2600204 0.86 KCNH2 (0.70) RYR2KCNH2
SCHEMBL2137575 0.85 RYR2 (0.76) RYR2KCNH2MCHR1
SCHEMBL2600202 0.80 KCNH2 (0.49) RYR2KCNH2
SCHEMBL2600195 0.77 KCNH2 (0.75) RYR2KCNH2

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-8933129-B2 Compounds and methods for modulating activity of calcium release channels STATE OF OREGON BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF PORTLAND STATE UNIVERSITY (US) 2015-01-13 US disclosed
US-20120101085-A1 Compounds And Methods For Modulating Activity Of Calcium Release Channels State of Oregon by and through the State Board of Higher Education on behalf of Portland State Univ. (US) 2012-04-26 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 (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-20120101085-A1 Compounds And Methods For Modulating Activity Of Calcium Release Channels RYR2, RYR1, CACNA1E RYR2 1/4885KCNH2 87/4885MCHR1 652/4885

“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.