SCHEMBL10488589

SCHEMBL10488589

CCOC(=O)c1c(N2CCN(Cc3ccccc3)CC2)n[nH]c1C

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
PRMT1 Q99873 1/20 0.53
ALDH1A1 P00352 3/20 0.49
LMNA P02545 3/20 0.49
MAPK1 P28482 2/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
PDE4D Q08499 1/20 0.47
ADORA1 P30542 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL10515051 0.87 MAPT (0.55) SMN1; SMN2ALDH1A1LMNAMAPTPDE4D
SCHEMBL10488583 0.87 LMNA (0.53) SMN1; SMN2ALDH1A1LMNAMAPK1MEN1
SCHEMBL18282552 0.82 PRMT1 (0.53) SMN1; SMN2PRMT1ALDH1A1LMNAMAPK1
SCHEMBL18282493 0.81 PRMT1 (0.53) SMN1; SMN2PRMT1ALDH1A1LMNAMAPK1
SCHEMBL10565099 0.78 PDE4D (0.56) SMN1; SMN2ALDH1A1MAPK1KMT2AMAPT
SCHEMBL2456713 0.77 PRMT1 (0.53) PRMT1ALDH1A1LMNAMAPK1KDM4E
SCHEMBL20438319 0.77 MEN1 (0.55) ALDH1A1LMNAMAPK1MEN1KMT2A
SCHEMBL10518574 0.77 PDE4D (0.55) SMN1; SMN2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL9836988 0.76 PRMT1 (0.54) SMN1; SMN2PRMT1ALDH1A1LMNAMAPK1
SCHEMBL3318522 0.75 PRMT1 (0.68) SMN1; SMN2PRMT1ALDH1A1LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4871737-A 3-Amino-5-methyl-1H-pyrazole-4-carboxylic acids and esters thereof as anticonvulsants muscle relaxants and anxiolytics A. H. ROBINS COMPANY, INCORPORATED (US) 1989-10-03 US claimed
EP-0315433-A2 3-amino-5-methyl-1H-pyrazole-4-carboxylic acids and esters thereof as anticonvulsants, muscle relaxants and anxiolytics A.H. ROBINS COMPANY, INCORPORATED (US) 1989-05-10 EP claimed
US-10774074-B2 2-(1-heteroarylpiperazin-4-yl)methyl-1,4-benzodioxane derivatives as alpha2C antagonists ORION CORPORATION (FI) 2020-09-15 US disclosed
US-20190292170-A9 2-(1-HETEROARYLPIPERAZIN-4-YL)METHYL-1,4-BENZODIOXANE DERIVATIVES AS ALPHA2C ANTAGONISTS ORION CORPORATION (FI) 2019-09-26 US disclosed
US-20180215739-A1 2-(1-HETEROARYLPIPERAZIN-4-YL)METHYL-1,4-BENZODIOXANE DERIVATIVES AS ALPHA2C ANTAGONISTS ORION CORPORATION (FI) 2018-08-02 US disclosed
US-4871737-A 3-Amino-5-methyl-1H-pyrazole-4-carboxylic acids and esters thereof as anticonvulsants muscle relaxants and anxiolytics A. H. ROBINS COMPANY, INCORPORATED (US) 1989-10-03 US disclosed
EP-0315433-A2 3-amino-5-methyl-1H-pyrazole-4-carboxylic acids and esters thereof as anticonvulsants, muscle relaxants and anxiolytics A.H. ROBINS COMPANY, INCORPORATED (US) 1989-05-10 EP disclosed
US-4826866-A 3-amino-5-methyl-1H-pyrazole-4-carboxylic acids and esters thereof as anticonvulsants, muscle relaxants and anxiolytics A. H. ROBINS COMPANY, INCORPORATED (US) 1989-05-02 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 (3 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-20180215739-A1 2-(1-HETEROARYLPIPERAZIN-4-YL)METHYL-1,4-BENZODIOXANE DERIVATIVES AS ALPHA2C ANTAGONISTS OPRM1, HTR2C, ADRA2C SMN1; SMN2 93/4885PRMT1 2544/4885ALDH1A1 972/4885
US-10774074-B2 2-(1-heteroarylpiperazin-4-yl)methyl-1,4-benzodioxane derivatives as alpha2C antagonists OPRM1, HTR2C, ADRA2C SMN1; SMN2 93/4885PRMT1 2544/4885ALDH1A1 972/4885
US-20190292170-A9 2-(1-HETEROARYLPIPERAZIN-4-YL)METHYL-1,4-BENZODIOXANE DERIVATIVES AS ALPHA2C ANTAGONISTS OPRM1, HTR2C, ADRA2C SMN1; SMN2 93/4885PRMT1 2544/4885ALDH1A1 972/4885

“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.