SCHEMBL17303549

SCHEMBL17303549

Cc1cnnc(OC2CCNCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.40
▸ HRH1 P35367 2/20 0.39
▸ IKBKB O14920 2/20 0.38
▸ SYK P43405 1/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ BRD4 O60885 1/20 0.37
▸ TMEM97 Q5BJF2 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ TDO2 P48775 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ CHUK O15111 1/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ ACVR1B P36896 1/20 0.36
▸ TGFBR1 P36897 1/20 0.36
▸ ACVR1 Q04771 1/20 0.36
▸ PIM1 P11309 2/20 0.34
▸ PIM3 Q86V86 2/20 0.34
▸ PIM2 Q9P1W9 2/20 0.34
▸ TIPARP Q7Z3E1 1/20 0.34

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
SCHEMBL17300843 0.80 IKBKB (0.36) P2RX7HRH1IKBKBSYKTDO2
SCHEMBL17303590 0.79 CYP11B1 (0.39) CYP11B1CYP11B2TDO2TGFBR1ACVR1
SCHEMBL21606997 0.75 SYK (0.44) P2RX7HRH1IKBKBSYKBRD4
SCHEMBL15829858 0.74 SYK (0.48) HRH1IKBKBSYKTMEM97SIGMAR1
Hydrochloric Acid SCHEMBL5335017 0.73 SYK (0.47) HRH1IKBKBSYKTMEM97SIGMAR1
SCHEMBL22156947 0.73 HRH1 (0.50) HRH1IKBKBROCK1CHUKKCNH2
SCHEMBL15219253 0.72 IKBKB (0.42) HRH1IKBKBSYKBRD4ROCK1
SCHEMBL21607112 0.72 TDO2 (0.45) P2RX7HRH1IKBKBSYKTMEM97
SCHEMBL942437 0.72 TDO2 (0.48) HRH1IKBKBSYKTMEM97SIGMAR1
SCHEMBL15830300 0.72 IKBKB (0.49) HRH1IKBKBROCK1CHUKKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219465-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme Inc (US) 2023-08-02 — — EP disclosed
US-20210122763-A1 OGA INHIBITOR COMPOUNDS JANSSEN-CILAG S.A. (ES) 2021-04-29 — — US disclosed
WO-2019243530-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 — — WO disclosed
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
US-20150361042-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-17 — — US 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 (6 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-20210122763-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN P2RX7 4759/4885HRH1 3096/4885IKBKB 2508/4885
US-20150344433-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF PRMT5, PRMT1, PRMT3 P2RX7 4603/4885HRH1 1309/4885IKBKB 2076/4885
US-20150361042-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 P2RX7 4652/4885HRH1 2085/4885IKBKB 2566/4885
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 P2RX7 4537/4885HRH1 779/4885IKBKB 1857/4885
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 P2RX7 3748/4885HRH1 1897/4885IKBKB 2963/4885
US-20150344434-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 P2RX7 4593/4885HRH1 820/4885IKBKB 1758/4885

“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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