SCHEMBL17357002

SCHEMBL17357002

CC1CCCN(C(=N)NC(=N)Nc2ccc(OC(F)(F)F)cc2)C1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 13/20 0.69
▸ EPHX1 P07099 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ POLB P06746 2/20 0.46
▸ SCN9A Q15858 1/20 0.43
▸ RAB9A P51151 2/20 0.42
▸ LIPE Q05469 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL17357004 0.88 EPHX2 (0.53) EPHX2ALDH1A1POLBRAB9AMEN1
SCHEMBL17777329 0.86 EPHX2 (0.53) EPHX2EPHX1POLBLIPEMAPT
SCHEMBL17777620 0.86 EPHX2 (0.67) EPHX2EPHX1POLBCYP2C9CYP2C19
SCHEMBL17356999 0.85 ALDH1A1 (0.49) EPHX2ALDH1A1POLBRAB9ALIPE
SCHEMBL15830991 0.85 EPHX2 (0.58) EPHX2EPHX1MAPTCYP2C9CYP2C19
Lixumistat SCHEMBL15830992 0.85 EPHX2 (0.61) EPHX2EPHX1GAAMAPTCYP2C9
SCHEMBL17356996 0.85 EPHX2 (0.50) EPHX2ALDH1A1POLB
SCHEMBL17357005 0.84 EPHX2 (0.54) EPHX2ALDH1A1SCN9ARAB9AMEN1
SCHEMBL23935918 0.84 EPHX2 (0.51) EPHX2EPHX1POLBLIPEMAPT
SCHEMBL18197811 0.84 EPHX2 (0.51) EPHX2EPHX1POLBLIPEMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 EPHX2 4222/4885EPHX1 4027/4885ALDH1A1 1667/4885
US-10252996-B2 N1-cyclic amine-N5-substituted biguanide derivatives, methods of preparing the same and pharmaceutical composition comprising the same PRKG1, PRKAG1, PRKG2 EPHX2 4222/4885EPHX1 4027/4885ALDH1A1 1667/4885
US-20180105494-A1 N1-CYCLIC AMINE-N5-SUBSTITUTED BIGUANIDE DERIVATIVES, METHODS OF PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME PRKG1, PRKAG1, PRKG2 EPHX2 4222/4885EPHX1 4027/4885ALDH1A1 1667/4885

“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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