SCHEMBL17606388

SCHEMBL17606388

CNCCN(C)Cc1cccc(-c2cc(C(=O)NC3CCOCC3)c3cnn(C(C)C)c3n2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 2/20 0.46
▸ RAB9A P51151 1/20 0.43
▸ PRMT6 Q96LA8 3/20 0.42
▸ EZH2 Q15910 1/20 0.42
▸ KDM5B Q9UGL1 1/20 0.41
▸ PDE1A P54750 1/20 0.41
▸ PDE1B Q01064 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ CARM1 Q86X55 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ GBA1 P04062 1/20 0.38

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
SCHEMBL19429947 0.96 PDE1B (0.44) NTRK1RAB9APRMT6EZH2KDM5B
SCHEMBL19430101 0.93 NTRK1 (0.45) NTRK1RAB9AEZH2KDM5BPDE1A
SCHEMBL19421606 0.93 NTRK1 (0.46) NTRK1RAB9AEZH2KDM5BPDE1A
SCHEMBL19430127 0.92 RAB9A (0.44) RAB9APRMT6EZH2KDM5BL3MBTL1
SCHEMBL19429883 0.90 NTRK1 (0.47) NTRK1PRMT6KDM5BKMT2A
SCHEMBL19409402 0.90 NTRK1 (0.43) NTRK1RAB9AEZH2KDM5BPDE1A
SCHEMBL19430418 0.90 PRMT6 (0.41) NTRK1RAB9APRMT6EZH2KDM5B
SCHEMBL19430244 0.90 NTRK1 (0.47) NTRK1PRMT6KDM5BPDE1APDE1B
SCHEMBL19430410 0.89 PRMT6 (0.41) NTRK1RAB9APRMT6EZH2KDM5B
SCHEMBL19430047 0.89 EZH2 (0.41) NTRK1PRMT6EZH2KDM5BL3MBTL1

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
US-20170280720-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-05 — — US disclosed
US-20170280720-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-05 — — US disclosed
US-20170280720-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-05 — — US disclosed
WO-2016044585-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-03-24 — — WO disclosed
WO-2016044585-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-03-24 — — 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 (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-20170280720-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 NTRK1 4670/4885RAB9A 1186/4885PRMT6 4/4885

“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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