SCHEMBL1333436

SCHEMBL1333436

c1ccc2c(c1)CCC21COCCN1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR2A P28223 2/20 0.39
KDM1A O60341 3/20 0.38
MAOB P27338 1/20 0.37
AKR1B1 P15121 1/20 0.35
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
DRD2 P14416 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 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
SCHEMBL29386234 0.76 TSHR (0.44) TSHRTDP1HTR2AKDM1AMAOB
SCHEMBL23855524 0.76 TSHR (0.44) TSHRTDP1HTR2AKDM1AMAOB
SCHEMBL28442386 0.76 TSHR (0.44) TSHRTDP1HTR2AKDM1AMAOB
SCHEMBL1721598 0.75 TSHR (0.42) TSHRTDP1HTR2AKDM1AMAOB
SCHEMBL29674233 0.73 HTR2A (0.47) TSHRTDP1HTR2AKDM1AMAOB
SCHEMBL22541598 0.73 HTR2A (0.47) TSHRTDP1HTR2AKDM1AMAOB
SCHEMBL742364 0.72 TSHR (0.48) TSHRTDP1KDM1AMAOBAKR1B1
Hydrochloric Acid SCHEMBL7831784 0.70 ADRA2A (0.45) KDM1AMAOBHTR2C
SCHEMBL14522963 0.69 HTR2A (0.51) TSHRTDP1HTR2AKDM1AMAOB
SCHEMBL17778822 0.68 SIGMAR1 (0.42)

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
EP-2569310-A1 MORPHOLINE COMPOUNDS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS Pfizer Inc (US) 2013-03-20 EP disclosed
US-20110281854-A1 MORPHOLINE COMPOUNDS PFIZER INC 2011-11-17 US disclosed
WO-2011141848-A1 MORPHOLINE COMPOUNDS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS PFIZER INC. (US) 2011-11-17 WO 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-20110281854-A1 MORPHOLINE COMPOUNDS REN, MC2R, NR3C2 TSHR 412/4885TDP1 4444/4885HTR2A 565/4885

“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.