SCHEMBL17303758

SCHEMBL17303758

CCC(=O)N1CCC(Nc2cc(C)ccn2)CC1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 8/20 0.76
▸ NOS1 P29475 7/20 0.76
▸ NOS3 P29474 4/20 0.76
▸ KDM4E B2RXH2 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ EPHX2 P34913 5/20 0.52
▸ PHGDH O43175 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SYK P43405 2/20 0.45
▸ JAK1 P23458 1/20 0.45

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
SCHEMBL15834813 0.90 NOS2 (0.73) NOS2NOS1NOS3KDM4EALDH1A1
SCHEMBL17303597 0.87 NOS2 (0.61) NOS2NOS1NOS3KDM4EALDH1A1
SCHEMBL17303798 0.87 NOS2 (0.68) NOS2NOS1NOS3KDM4EALDH1A1
SCHEMBL7821472 0.86 NOS2 (1.00) NOS2NOS1NOS3KDM4EALDH1A1
SCHEMBL17303813 0.86 NOS2 (0.70) NOS2NOS1NOS3KDM4EALDH1A1
SCHEMBL15829843 0.86 NOS2 (0.73) NOS2NOS1NOS3KDM4EALDH1A1
SCHEMBL17300761 0.84 NOS2 (0.56) NOS2NOS1NOS3EPHX2SYK
SCHEMBL15834091 0.84 NOS2 (0.56) NOS2NOS1NOS3EPHX2JAK1
SCHEMBL17303996 0.82 NOS2 (0.69) NOS2NOS1NOS3KDM4EALDH1A1
SCHEMBL15829981 0.82 NOS2 (0.69) NOS2NOS1NOS3KDM4EALDH1A1

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-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-11-23 — — US disclosed
US-9745291-B2 PRMT5 inhibitors containing a dihydro- or tetrahydroisoquinoline and uses thereof Epizyme, Inc. (US) 2017-08-29 — — US disclosed
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-27 — — US disclosed
US-9604930-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2017-03-28 — — US disclosed
WO-2015200677-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-30 — — WO disclosed
US-20150344434-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-03 — — US disclosed
US-20150344433-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2015-12-03 — — 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 (4 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-20150344433-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF PRMT5, PRMT1, PRMT3 NOS2 454/4885NOS1 463/4885NOS3 635/4885
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 NOS2 221/4885NOS1 281/4885NOS3 337/4885
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 NOS2 773/4885NOS1 580/4885NOS3 816/4885
US-20150344434-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 NOS2 250/4885NOS1 305/4885NOS3 367/4885

“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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