SCHEMBL3494136

SCHEMBL3494136

COC(=O)c1ncn(C2CCCN(C(=O)OC(C)(C)C)C2)c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.48
SRC P12931 3/20 0.48
USP30 Q70CQ3 7/20 0.48
HPGDS O60760 2/20 0.47
APLNR P35414 1/20 0.47
HCAR1 Q9BXC0 1/20 0.45
ACKR3 P25106 1/20 0.45
PIK3CD O00329 1/20 0.42
PIK3R2 O00459 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
PIK3R5 Q8WYR1 1/20 0.42
PIK3R3 Q92569 1/20 0.42
ABL1 P00519 2/20 0.42
ABL2 P42684 2/20 0.42
PRMT5 O14744 1/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41

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
SCHEMBL3492984 0.88 MEN1 (0.40) EGFR
SCHEMBL3493751 0.85 JAK2 (0.46)
SCHEMBL4293262 0.81 SLC6A3 (0.43)
SCHEMBL4282795 0.80 ALDH1A1 (0.45)
SCHEMBL8235955 0.78 ABHD6 (0.44) EGFRSRCUSP30HPGDS
SCHEMBL8239273 0.78 PARP1 (0.49) EGFRSRCUSP30HPGDSPRMT5
SCHEMBL16335107 0.77 HCAR1 (0.55) EGFRSRCUSP30HPGDSHCAR1
SCHEMBL29709458 0.77 HCAR1 (0.55) EGFRSRCUSP30HPGDSHCAR1
SCHEMBL16337414 0.77 HCAR1 (0.55) EGFRSRCUSP30HPGDSHCAR1
SCHEMBL8230171 0.76 ABHD6 (0.45) EGFRSRCUSP30HPGDSHCAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 EGFR 1629/4885SRC 967/4885USP30 2733/4885

“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.