SCHEMBL17356928

SCHEMBL17356928

N#CNC(=N)N1CC=CCC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.37
NPC1 O15118 2/20 0.34
LMNA P02545 2/20 0.34
RAB9A P51151 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
DPP7 Q9UHL4 3/20 0.31
DPP4 P27487 3/20 0.31
DPP8 Q6V1X1 1/20 0.31

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
SCHEMBL17356923 0.86
SCHEMBL17777444 0.78 NPC1 (0.39) CTSKNPC1LMNARAB9ATDP1
SCHEMBL17356982 0.72 DPP7 (0.35) NPC1LMNARAB9ATDP1KDM4E
SCHEMBL11095390 0.71
SCHEMBL14703309 0.71 F2 (0.37) CTSKNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL14703311 0.71
Hydrochloric Acid SCHEMBL17668285 0.70 DPP7 (0.34) NPC1LMNARAB9ATDP1KDM4E
SCHEMBL14703424 0.70 F2 (0.41) CTSKNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL15506945 0.70 F2 (0.31) ALDH1A1
SCHEMBL11806743 0.70 F2 (0.41) CTSKNPC1RAB9AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2941418-B1 N1-CYCLIC AMINE-N5-SUBSTITUTED BIGUANIDE DERIVATIVES, METHODS OF PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME IMMUNOMET THERAPEUTICS INC (US) 2020-04-29 EP disclosed
US-10252996-B2 N1-cyclic amine-N5-substituted biguanide derivatives, methods of preparing the same and pharmaceutical composition comprising the same IMMUNOMET THERAPEUTICS INC. (US) 2019-04-09 US disclosed
US-20180105494-A1 N1-CYCLIC AMINE-N5-SUBSTITUTED BIGUANIDE DERIVATIVES, METHODS OF PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HANALL BIOPHARMA CO., LTD. (KP) 2018-04-19 US disclosed
US-20180105494-A1 N1-CYCLIC AMINE-N5-SUBSTITUTED BIGUANIDE DERIVATIVES, METHODS OF PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HANALL BIOPHARMA CO., LTD. (KP) 2018-04-19 US disclosed
US-9884821-B2 N1-cyclic amine-N5-substituted biguanide derivatives, methods of preparing the same and pharmaceutical composition comprising the same IMMUNOMET THERAPEUTICS INC. (US) 2018-02-06 US disclosed
US-9884821-B2 N1-cyclic amine-N5-substituted biguanide derivatives, methods of preparing the same and pharmaceutical composition comprising the same IMMUNOMET THERAPEUTICS INC. (US) 2018-02-06 US disclosed
US-20150368198-A1 N1-Cyclic Amine-N5-Substituted Biguanide Derivatives, Methods of Preparing the Same and Pharmaceutical Composition Comprising the Same IMMUNOMET THERAPEUTICS INC. 2015-12-24 US disclosed
US-20150368198-A1 N1-Cyclic Amine-N5-Substituted Biguanide Derivatives, Methods of Preparing the Same and Pharmaceutical Composition Comprising the Same IMMUNOMET THERAPEUTICS INC. 2015-12-24 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 (3 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-20150368198-A1 N1-Cyclic Amine-N5-Substituted Biguanide Derivatives, Methods of Preparing the Same and Pharmaceutical Composition Comprising the Same PRKG1, PRKAG1, PRKG2 CTSK 4499/4885NPC1 1237/4885LMNA 3033/4885
US-10252996-B2 N1-cyclic amine-N5-substituted biguanide derivatives, methods of preparing the same and pharmaceutical composition comprising the same PRKG1, PRKAG1, PRKG2 CTSK 4499/4885NPC1 1237/4885LMNA 3033/4885
US-20180105494-A1 N1-CYCLIC AMINE-N5-SUBSTITUTED BIGUANIDE DERIVATIVES, METHODS OF PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME PRKG1, PRKAG1, PRKG2 CTSK 4499/4885NPC1 1237/4885LMNA 3033/4885

“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.