SCHEMBL8237483

SCHEMBL8237483

CCCCCC(=O)Nc1ccccc1-n1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2Cc2ccccc2)c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
PLA2G1B P04054 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
HDAC1 Q13547 1/20 0.41
ABHD6 Q9BV23 1/20 0.41
DAGLA Q9Y4D2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
SOAT1 P35610 2/20 0.36
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
PARP1 P09874 1/20 0.36
KLK7 P49862 4/20 0.36
KLK5 Q9Y337 4/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
DPP4 P27487 1/20 0.35

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
SCHEMBL13340197 0.98 HDAC1 (0.41) TSHRLMNAPLA2G1BKMT2ANPSR1
SCHEMBL8231116 0.95 TSHR (0.43) TSHRHDAC1ABHD6DAGLANR1H2
SCHEMBL8236046 0.94 HDAC1 (0.41) TSHRLMNAPLA2G1BKMT2ANPSR1
SCHEMBL3493714 0.94 HDAC1 (0.41) TSHRLMNAPLA2G1BKMT2ANPSR1
SCHEMBL8236058 0.93 HDAC1 (0.44) TSHRHDAC1ABHD6DAGLANR1H2
SCHEMBL3494235 0.92 HDAC1 (0.39) TSHRLMNAPLA2G1BKMT2ANPSR1
SCHEMBL3492306 0.91 TSHR (0.44) TSHRLMNAPLA2G1BKMT2ANPSR1
SCHEMBL13340393 0.90 ABHD6 (0.41) HDAC1ABHD6DAGLANR1H2NR1H3
SCHEMBL13340412 0.90 HDAC1 (0.40) TSHRHDAC1ABHD6DAGLASMN1; SMN2
SCHEMBL13340400 0.89 ABHD6 (0.42) HDAC1ABHD6DAGLANR1H2NR1H3

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 TSHR 684/4885LMNA 201/4885PLA2G1B 3162/4885

“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.