SCHEMBL803385

SCHEMBL803385

CC(C)(C)C1(c2ccccc2Cl)CCCC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 4/20 0.45
GRIN2A Q12879 4/20 0.45
SLC6A4 P31645 2/20 0.45
GRIN2D O15399 2/20 0.45
GRIN3B O60391 2/20 0.45
GRIN2B Q13224 2/20 0.45
GRIN2C Q14957 2/20 0.45
GRIN3A Q8TCU5 2/20 0.45
LMNA P02545 2/20 0.45
OPRK1 P41145 1/20 0.45
OPRM1 P35372 1/20 0.45
CACNA1C Q13936 1/20 0.45
HDAC4 P56524 3/20 0.45
TAAR1 Q96RJ0 1/20 0.36
PDE7A Q13946 1/20 0.35
PDE7B Q9NP56 1/20 0.35
TMEM97 Q5BJF2 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
TSHR P16473 1/20 0.33

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
SCHEMBL802999 0.96 GRIN1 (0.41) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL803639 0.92 GRIN1 (0.40) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL803048 0.77 HDAC4 (0.45) SLC6A4OPRK1OPRM1HDAC4PDE7A
SCHEMBL11772140 0.77 GRIN1 (0.35) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL17816445 0.75 HDAC4 (0.36) SLC6A4HDAC4
SCHEMBL15621614 0.74 GRIN1 (0.49) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL802995 0.73 HDAC4 (0.41) OPRK1OPRM1HDAC4PDE7A
SCHEMBL21543242 0.72 PDK2 (0.44) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL14685888 0.72 GRIN1 (0.47) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL16335846 0.69 SLC6A4 (0.44) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B

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
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 GRIN1 854/4885GRIN2A 1273/4885SLC6A4 1682/4885

“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.