SCHEMBL17359417

SCHEMBL17359417

CC1CCCN(C(=N)NC(=N)NCc2ccc(OCF)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.47
▸ ALDH1A1 P00352 6/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ HPGD P15428 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ EPHX2 P34913 1/20 0.39
▸ POLB P06746 3/20 0.38
▸ DPP7 Q9UHL4 1/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL17357005 0.87 EPHX2 (0.54) GAAALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL17356987 0.84 DPP7 (0.53) GAAALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL17357006 0.83 GAA (0.48) GAAALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL17359406 0.79 RECQL (0.32) GAAALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL17356986 0.76 GAA (0.47) GAAALDH1A1RAB9AKMT2ANPC1
SCHEMBL14703468 0.73 ALDH1A1 (0.47) GAAALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL14703361 0.71 HRH3 (0.47) GAAALDH1A1SMN1; SMN2MAPTEPHX2
SCHEMBL14703144 0.71 HRH3 (0.45) ALDH1A1SMN1; SMN2MAPTEPHX2HRH3
SCHEMBL17357002 0.70 EPHX2 (0.69) GAAALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL14703251 0.70 EPHX2 (0.47) ALDH1A1SMN1; SMN2MAPTEPHX2CRHBP

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-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 (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-20150368198-A1 N1-Cyclic Amine-N5-Substituted Biguanide Derivatives, Methods of Preparing the Same and Pharmaceutical Composition Comprising the Same PRKG1, PRKAG1, PRKG2 GAA 2614/4885ALDH1A1 1667/4885RAB9A 981/4885

“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.

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