SCHEMBL3492306

SCHEMBL3492306

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
LMNA P02545 1/20 0.44
PLA2G1B P04054 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
SOAT1 P35610 2/20 0.39
CA1 P00915 12/20 0.38
CA2 P00918 12/20 0.38
CA4 P22748 12/20 0.38
CA9 Q16790 12/20 0.38
MAPT P10636 1/20 0.38
GLA P06280 1/20 0.36

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
SCHEMBL3495109 0.98 TSHR (0.41) TSHRLMNAPLA2G1BKMT2ANPSR1
SCHEMBL3493260 0.94 TSHR (0.45) TSHRLMNAPLA2G1BKMT2ANPSR1
SCHEMBL3493927 0.93 CA1 (0.39) TSHRLMNAPLA2G1BKMT2ANPSR1
SCHEMBL8237483 0.91 TSHR (0.42) TSHRLMNAPLA2G1BKMT2ANPSR1
SCHEMBL3494534 0.90 CA1 (0.36) TSHRLMNAPLA2G1BKMT2ANPSR1
SCHEMBL3496458 0.89 CA1 (0.39) KMT2ACA1CA2CA4CA9
SCHEMBL3492703 0.89 CA1 (0.40) TSHRKMT2ASMN1; SMN2CA1CA2
SCHEMBL8238641 0.88 TSHR (0.41) TSHRLMNAPLA2G1BKMT2ANPSR1
SCHEMBL13340197 0.88 HDAC1 (0.41) TSHRLMNAPLA2G1BKMT2ANPSR1
SCHEMBL3493791 0.88 CA1 (0.40) CA1CA2CA4CA9

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 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.