SCHEMBL2885089

SCHEMBL2885089

[NH]C(=O)CN1CCNCC1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.41
HTR2C P28335 2/20 0.39
DPP4 P27487 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2B P41595 1/20 0.38
CYP2D6 P10635 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
BACE1 P56817 1/20 0.37
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RIPK1 Q13546 1/20 0.37
CALCA P06881 1/20 0.37
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL6301700 0.88 SIGMAR1 (0.42) SIGMAR1HTR2CDPP4DPP7HTR2A
SCHEMBL1109657 0.85 SIGMAR1 (0.41) SIGMAR1HTR2CDPP4DPP7HTR2A
SCHEMBL10772014 0.85 ALDH1A1 (0.50) SIGMAR1HTR2CDPP4DPP7HTR2A
Hydrochloric Acid SCHEMBL7293029 0.84 SIGMAR1 (0.40) SIGMAR1HTR2CDPP4DPP7HTR2A
Hydrochloric Acid SCHEMBL28338297 0.81 MAPT (0.41) KDM4EMEN1KMT2A
SCHEMBL4977025 0.79 SLC18A3 (0.44) HTR2CHTR2AHTR2BCYP2D6SLC6A2
SCHEMBL8496002 0.79 DPP4 (0.45) SIGMAR1HTR2CDPP4DPP7HTR2A
SCHEMBL470870 0.78 P2RX7 (0.43) HTR2CHTR2AHTR2BCYP2D6SLC6A2
SCHEMBL3978422 0.78 SLC6A2 (0.41) SIGMAR1HTR2CHTR2AHTR2BCYP2D6
SCHEMBL410563 0.78 P2RX7 (0.43) HTR2CHTR2AHTR2BCYP2D6SLC6A2

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 SIGMAR1 522/4885HTR2C 3134/4885DPP4 2872/4885
US-20070299051-A1 Tricyclic Guanidine Derivatives as Sodium-Proton Exchange Inhibitors ATP2A1, ATP2A3, KCNN4 SIGMAR1 522/4885HTR2C 3134/4885DPP4 2872/4885

“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.