SCHEMBL3494290

SCHEMBL3494290

Cc1cc(C(=O)N2CCN(C(=O)O)C(C(C)(C)C)[C@H]2Cc2ccccc2)c(-c2ccccc2)n1-c1cccc(O)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.34
MYC P01106 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
HCRTR1 O43613 4/20 0.33
HCRTR2 O43614 4/20 0.33
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
ALDH1A1 P00352 3/20 0.33
KIF11 P52732 2/20 0.33
MAPT P10636 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
LMNA P02545 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
SCHEMBL3496195 0.95 CNR2 (0.35) NOTUMMYCGAAHCRTR1HCRTR2
SCHEMBL3494807 0.91 NOTUM (0.34) NOTUMHCRTR1HCRTR2NR1H2NR1H3
SCHEMBL3494703 0.91 NR1H2 (0.34) NOTUMMEN1KMT2AHCRTR1HCRTR2
SCHEMBL3493902 0.86 DHODH (0.36) NOTUMALDH1A1MAPTLMNATSHR
SCHEMBL3495949 0.84 NOTUM (0.35) NOTUMNR1H2NR1H3
SCHEMBL3494880 0.81 CA1 (0.41) MYC
SCHEMBL3493038 0.80 TUBB4A (0.34) NOTUMMEN1KMT2AALDH1A1MAPT
SCHEMBL3494284 0.78 NR1H2 (0.46) NR1H2NR1H3MAPT
SCHEMBL3494368 0.76 CA1 (0.41) HCRTR1HCRTR2CYP3A4
SCHEMBL3493775 0.75 CPT2 (0.38) NOTUMALDH1A1MAPTKDM4ELMNA

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
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

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 NOTUM 1289/4885MYC 2695/4885MEN1 750/4885

“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.