SCHEMBL19385485

SCHEMBL19385485

CNC(=O)OC(CC1CCCCC1)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ USP19 O94966 1/20 0.43
▸ HPGD P15428 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CYP2C19 P33261 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ LMNA P02545 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TRPA1 O75762 1/20 0.38
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ FBP1 P09467 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
SCHEMBL19385614 0.99 KMT2A (0.46) KMT2AMEN1USP19HPGDTDP1
SCHEMBL19385576 0.77 MAPK1 (0.46) KMT2AMEN1TDP1CYP2C19ALDH1A1
SCHEMBL1862137 0.77 CYP3A4 (0.46) KMT2AMEN1USP19HPGDTDP1
SCHEMBL1862139 0.77 CYP3A4 (0.46) KMT2AMEN1USP19HPGDTDP1
SCHEMBL19400992 0.77 USP19 (0.43) KMT2AMEN1USP19HPGDTDP1
SCHEMBL14870479 0.75 USP19 (0.47) KMT2AUSP19HPGDTDP1CYP2C19
SCHEMBL1864471 0.74 HPGD (0.46) KMT2AMEN1USP19HPGDTDP1
SCHEMBL14860114 0.74 HPGD (0.46) KMT2AMEN1USP19HPGDTDP1
SCHEMBL1529729 0.72 ACHE (0.44) USP19HPGDCYP2C19ALDH1A1MAPK1
SCHEMBL1529727 0.72 ACHE (0.44) USP19HPGDCYP2C19ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3484464-B1 N1-PHENYLPROPANE-1,2-DIAMINE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME (US) 2020-10-28 — — EP disclosed
US-10442778-B2 N1-phenylpropane-1,2-diamine compounds with selective activity in voltage-gated sodium channels MERCK SHARP & DOHME CORP. (US) 2019-10-15 — — US disclosed
EP-3484464-A1 N1-PHENYLPROPANE-1,2-DIAMINE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS Merck Sharp & Dohme Corp. (US) 2019-05-22 — — EP disclosed
US-20190092738-A1 N1-PHENYLPROPANE-1,2-DIAMINE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2019-03-28 — — US disclosed
WO-2017165204-A1 N1-PHENYLPROPANE-1,2-DIAMINE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2017-09-28 — — 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-20190092738-A1 N1-PHENYLPROPANE-1,2-DIAMINE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS TRPV1, SCN1A, TRPA1 KMT2A 2089/4885MEN1 1256/4885USP19 4347/4885
US-10442778-B2 N1-phenylpropane-1,2-diamine compounds with selective activity in voltage-gated sodium channels TRPV1, SCN1A, TRPA1 KMT2A 2089/4885MEN1 1256/4885USP19 4347/4885

“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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