SCHEMBL803450

SCHEMBL803450

CC(C)(C)C1(c2ccccc2F)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 5/20 0.40
OPRL1 P41146 3/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
ACHE P22303 1/20 0.34
PDK2 Q15119 2/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
HSD11B1 P28845 2/20 0.34
HSD11B2 P80365 1/20 0.34
HCAR2 Q8TDS4 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL802995 0.92 HDAC4 (0.41) HDAC4OPRL1OPRM1OPRD1OPRK1
SCHEMBL803048 0.92 HDAC4 (0.45) HDAC4OPRL1OPRM1OPRD1OPRK1
SCHEMBL4402795 0.84 HDAC4 (0.42) HDAC4PDK2
SCHEMBL17322977 0.84 HDAC4 (0.47) HDAC4
SCHEMBL803639 0.75 GRIN1 (0.40) HDAC4OPRM1OPRK1PDK2
SCHEMBL25450843 0.73 CA2 (0.36)
SCHEMBL6609077 0.73 BACE1 (0.34) PDK2
SCHEMBL15621612 0.71 HDAC4 (0.43) HDAC4OPRL1OPRM1OPRD1OPRK1
SCHEMBL21526 0.69 OPRM1 (0.45) OPRL1OPRM1OPRK1
SCHEMBL21524 0.69 OPRM1 (0.45) OPRL1OPRM1OPRK1

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-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

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 HDAC4 2231/4885OPRL1 17/4885OPRM1 86/4885

“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.