SCHEMBL17624393

SCHEMBL17624393

COc1ccc2c(n1)CN(C)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 1/20 0.39
▸ HTR1B P28222 1/20 0.39
▸ HTR1F P30939 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ SLC6A4 P31645 2/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ DRD1 P21728 1/20 0.35
▸ DRD5 P21918 1/20 0.35
▸ MAOA P21397 2/20 0.34
▸ MAOB P27338 2/20 0.34
▸ POLB P06746 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TIPARP Q7Z3E1 1/20 0.33
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33

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
SCHEMBL18034936 0.86 CYP2C19 (0.47) HTR1DHTR1BHTR1FDRD2DRD3
SCHEMBL31046620 0.86 CYP2C19 (0.47) HTR1DHTR1BHTR1FDRD2DRD3
SCHEMBL25686874 0.81 DRD2 (0.38) HTR1DHTR1BHTR1FDRD2DRD3
SCHEMBL17624120 0.80 HTT (0.38) SLC6A4SLC6A2SLC6A3TIPARPHRH4
SCHEMBL19498187 0.80 DRD2 (0.37) HTR1DHTR1BHTR1FDRD2DRD3
SCHEMBL17624126 0.80 TIPARP (0.50) DRD2TIPARPMEN1KMT2A
SCHEMBL19504663 0.79 DRD2 (0.36) HTR1DHTR1BHTR1FDRD2DRD3
SCHEMBL17624122 0.75 DRD3 (0.38) DRD2DRD3
SCHEMBL16181320 0.74 HTR3E (0.40) HTR2AHTR2CHTR2BMAOAMAOB
SCHEMBL25085557 0.72 MAOA (0.38) DRD2DRD3DRD1DRD5MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 — — US disclosed
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 — — US disclosed
US-20170305922-A1 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-26 — — US disclosed
WO-2016044604-A1 CARM1 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 (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-20170305922-A1 CARM1 INHIBITORS AND USES THEREOF CARM1, ADRM1, PRMT1 HTR1D 4319/4885HTR1B 3802/4885HTR1F 4046/4885
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1A, SCN3A, SCN2A HTR1D 767/4885HTR1B 991/4885HTR1F 733/4885

“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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