SCHEMBL3493899

SCHEMBL3493899

Cc1cc(C(=O)N2CCN(C(=O)O)C[C@H]2C(c2ccccc2)C(C)(C)C)c(-c2cccc(OCc3ccccc3)c2)n1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.36
MGLL Q99685 2/20 0.36
BTK Q06187 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HDAC4 P56524 1/20 0.34
NOTUM Q6P988 1/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
SPHK2 Q9NRA0 2/20 0.34
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
FFAR1 O14842 1/20 0.33
CTSA P10619 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
SCHEMBL3496193 0.88 CNR2 (0.34) MGLLALDH1A1NOTUMLMNAHTT
SCHEMBL3494287 0.85 NOTUM (0.35) MGLLALDH1A1NOTUMKDM4ELMNA
SCHEMBL3495945 0.84 NOTUM (0.34) ALDH1A1NOTUMKDM4ELMNAFFAR1
SCHEMBL3492931 0.84 SPHK2 (0.40) DHODHMGLLBTKALDH1A1HDAC4
SCHEMBL3494806 0.83 NOTUM (0.35) ALDH1A1NOTUMLMNAMAPT
SCHEMBL4982251 0.82 FAAH (0.38) MGLLBTKALDH1A1KDM4ELMNA
SCHEMBL3494754 0.81 POLB (0.36) MGLLALDH1A1LMNAHTTSPHK2
SCHEMBL3494934 0.81 POLB (0.36) MGLLALDH1A1LMNAHTTSPHK2
SCHEMBL3493898 0.79 NR1H2 (0.44) MGLLSPHK2
SCHEMBL3493902 0.78 DHODH (0.36) DHODHBTKALDH1A1HDAC4NOTUM

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 DHODH 3063/4885MGLL 2448/4885BTK 1530/4885

“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.