SCHEMBL13554190

SCHEMBL13554190

CCN1CCN(Cc2ccccc2)C(C)C1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.56
MAPT P10636 1/20 0.49
SIGMAR1 Q99720 4/20 0.48
ACHE P22303 1/20 0.47
MC4R P32245 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL14528083 0.90 HRH2 (0.66) HRH2MAPTSIGMAR1ACHEMC4R
SCHEMBL5692251 0.90 HRH2 (0.66) HRH2MAPTSIGMAR1ACHEMC4R
SCHEMBL20284487 0.90 HRH2 (0.66) HRH2MAPTSIGMAR1ACHEMC4R
SCHEMBL26464091 0.85 NPC1 (0.62) HRH2KDM4EMEN1NPC1ALDH1A1
SCHEMBL28161146 0.83 HRH2 (0.52) HRH2MAPTSIGMAR1ACHE
SCHEMBL27979641 0.80 MAPT (0.68) HRH2MAPTSIGMAR1ACHE
SCHEMBL6741206 0.80 MAPT (0.68) HRH2MAPTSIGMAR1ACHE
SCHEMBL4048121 0.80 MAPT (0.68) HRH2MAPTSIGMAR1ACHE
SCHEMBL14930169 0.80 MC4R (0.53) HRH2MAPTSIGMAR1ACHEMC4R
SCHEMBL16882675 0.80 HRH2 (0.49) HRH2MAPTSIGMAR1MC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270877-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2012-10-25 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-20120270877-A1 IRE-1alpha INHIBITORS XBP1, ERN1, ATF4 HRH2 3571/4885MAPT 3426/4885SIGMAR1 1480/4885

“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.