SCHEMBL11063126

SCHEMBL11063126

c1ccc2cc(OC3CCNCC3)ccc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.68
HRH1 P35367 4/20 0.65
SLC6A2 P23975 6/20 0.59
SLC6A4 P31645 6/20 0.59
KCNH2 Q12809 3/20 0.59
HTR3A P46098 2/20 0.59
SLC6A3 Q01959 4/20 0.58
HTR2A P28223 1/20 0.58
HTR2C P28335 1/20 0.58
HTR7 P34969 1/20 0.58
HTR2B P41595 1/20 0.58
HTR4 Q13639 1/20 0.58
ROCK1 Q13464 4/20 0.56
ROCK2 O75116 1/20 0.56
PRKACA P17612 1/20 0.56
PRKCD Q05655 1/20 0.56
PRKG1 Q13976 1/20 0.56
PKN1 Q16512 1/20 0.56
PKN2 Q16513 1/20 0.56
AAK1 Q2M2I8 1/20 0.56

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
Hydrochloric Acid SCHEMBL7452746 0.98 IKBKB (0.66) IKBKBHRH1SLC6A2SLC6A4KCNH2
SCHEMBL30477858 0.87 CYP1A2 (0.50) IKBKBHRH1SLC6A2SLC6A4KCNH2
SCHEMBL16902878 0.87 CYP1A2 (0.50) IKBKBHRH1SLC6A2SLC6A4KCNH2
SCHEMBL2582566 0.84 IKBKB (0.51) IKBKBHRH1SLC6A2SLC6A4KCNH2
SCHEMBL11073591 0.83 IKBKB (0.60) IKBKBHRH1SLC6A4HTR2CHTR2B
SCHEMBL11073457 0.83 IKBKB (0.60) IKBKBHRH1HTR2CHTR2BROCK1
SCHEMBL23842763 0.81 SLC6A4 (0.60) IKBKBSLC6A2SLC6A4KCNH2HTR3A
SCHEMBL5368065 0.81 FAAH (0.50) IKBKBSLC6A2SLC6A4KCNH2HTR3A
Hydrochloric Acid SCHEMBL6964855 0.80 SLC6A4 (0.58) IKBKBSLC6A2SLC6A4KCNH2HTR3A
Hydrochloric Acid SCHEMBL30690927 0.80 SLC6A4 (0.58) IKBKBSLC6A2SLC6A4KCNH2HTR3A

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-20230150929-A1 SELECTIVE NON-CYCLIC NUCLEOTIDE ACTIVATORS FOR THE CAMP SENSOR EPAC1 UNIV TEXAS (US) 2023-05-18 US disclosed
US-4443462-A Antipsychotic 4-(naphthalenyloxy)piperidine derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1984-04-17 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-20230150929-A1 SELECTIVE NON-CYCLIC NUCLEOTIDE ACTIVATORS FOR THE CAMP SENSOR EPAC1 CREB1, RAPGEF4, ATF4 IKBKB 2278/4885HRH1 2472/4885SLC6A2 4364/4885

“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.