SCHEMBL2885091

SCHEMBL2885091

[NH]C(=O)C(c1ccccc1)N1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
OPRD1 P41143 10/20 0.56
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.51
GLS O94925 2/20 0.49
SLC6A4 P31645 4/20 0.49
SLC6A2 P23975 3/20 0.49
OPRM1 P35372 1/20 0.47
SLC6A3 Q01959 1/20 0.47

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
SCHEMBL7582208 0.88 LMNA (0.69) MEN1KMT2AOPRD1LMNAGAA
SCHEMBL14932836 0.85 MEN1 (0.56) MEN1KMT2AOPRD1LMNAGAA
SCHEMBL16052070 0.85 MEN1 (0.56) MEN1KMT2AOPRD1LMNAGAA
SCHEMBL12175103 0.85 OPRD1 (0.60) MEN1KMT2AOPRD1LMNAGAA
SCHEMBL793646 0.85 OPRD1 (0.60) MEN1KMT2AOPRD1LMNAGAA
SCHEMBL10772016 0.83 OPRD1 (0.57) MEN1KMT2AOPRD1LMNAGAA
SCHEMBL12158656 0.82 OPRD1 (0.54) MEN1KMT2AOPRD1LMNAGAA
Hydrochloric Acid SCHEMBL27478166 0.82 OPRD1 (0.56) MEN1KMT2AOPRD1LMNAGAA
SCHEMBL3624300 0.81 KMT2A (0.71) MEN1KMT2AOPRD1LMNAGLS
SCHEMBL31287355 0.81 OPRD1 (0.59) MEN1KMT2AOPRD1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183234-B2 Tricyclic guanidine derivatives as sodium-proton exchange inhibitors PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-05-22 US disclosed
US-7834001-B2 N-(10,10-Dioxo-10,11-dihydro-5-oxa-10-lambda*6*-thia-dibenzo[a.d]cycloheptene-8-carbonyl)-guanidine; tumor necrosis factor inhibitors; sodium-proton exchange inhibitors for treatment of organ disorders associated with ischemia and reperfusion, cardiac arrhythmia, cardiac hypertrophy PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-11-16 US disclosed
US-20100267690-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-10-21 US disclosed
US-20070299051-A1 Tricyclic Guanidine Derivatives as Sodium-Proton Exchange Inhibitors NICHOLAS PIRAMAL INDIA LIMITED. (IN) 2007-12-27 US disclosed
EP-1812420-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS Nicholas Piramal India Limited (IN) 2007-08-01 EP disclosed
WO-2006051476-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS NICHOLAS PIRAMAL INDIA LIMITED (IN) 2006-05-18 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 (2 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-20100267690-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS ATP2A1, ATP2A3, KCNN4 MEN1 4261/4885KMT2A 3477/4885OPRD1 224/4885
US-20070299051-A1 Tricyclic Guanidine Derivatives as Sodium-Proton Exchange Inhibitors ATP2A1, ATP2A3, KCNN4 MEN1 4261/4885KMT2A 3477/4885OPRD1 224/4885

“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.