SCHEMBL3496089

SCHEMBL3496089

CCOc1nc(C(=O)O)c(-c2ccccc2)n1-c1ccccc1OC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 3/20 0.43
GAA P10253 1/20 0.43
AVPR2 P30518 1/20 0.43
AVPR1A P37288 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
TP53 P04637 2/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 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
SCHEMBL3493632 0.90 ALDH1A1 (0.46) TSHRL3MBTL1LMNAGAAAVPR2
SCHEMBL3495135 0.83 MAT2A (0.49) TSHRL3MBTL1LMNAGAAALDH1A1
SCHEMBL3494034 0.77 MDM2 (0.48) TSHRL3MBTL1LMNAALDH1A1
SCHEMBL8236025 0.74 HIF1A (0.40) TSHRL3MBTL1LMNAALDH1A1
SCHEMBL3491959 0.73 MDM2 (0.48) L3MBTL1GAAALDH1A1KDM4EMAPT
SCHEMBL4291351 0.73 OGFRL1 (0.44) GAA
SCHEMBL3495292 0.73 AVPR2 (0.44) TSHRLMNAGAAAVPR2AVPR1A
SCHEMBL3491977 0.72 ALDH1A1 (0.53) TSHRGAAALDH1A1KDM4ETP53
SCHEMBL3492457 0.72 ALDH1A1 (0.47) TSHRLMNAGAAALDH1A1MAPK1
SCHEMBL8238120 0.71 ALDH1A1 (0.44) TSHRLMNAGAAALDH1A1MAPK1

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 6 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
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
EP-1984355-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION Takeda Pharmaceutical Company Limited (JP) 2008-10-29 EP 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
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 TSHR 684/4885L3MBTL1 3870/4885LMNA 201/4885

“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.