SCHEMBL3493565

SCHEMBL3493565

O=C(O)N1CCN(C(=O)c2ncn(C3CCCN(C(=O)OCc4ccccc4)C3)c2-c2ccccc2)[C@H](Cc2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.40
JAK2 O60674 2/20 0.40
JAK1 P23458 2/20 0.40
TYK2 P29597 2/20 0.40
JAK3 P52333 2/20 0.40
OPRK1 P41145 1/20 0.38
LCK P06239 2/20 0.38
TMEM97 Q5BJF2 3/20 0.38
SIGMAR1 Q99720 3/20 0.38
MC4R P32245 2/20 0.37
MC3R P41968 2/20 0.37
MC1R Q01726 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA9 Q16790 2/20 0.37
SCD5 Q86SK9 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL8239273 0.92 PARP1 (0.49) PARP1JAK2JAK1TYK2JAK3
SCHEMBL3494062 0.89 CA1 (0.48) MC4RMC3RMC1RCA1CA2
SCHEMBL4281780 0.87 CA1 (0.42) MC4RMC3RMC1RCA1CA2
SCHEMBL3493838 0.86 CA1 (0.41) MC4RMC3RMC1RCA1CA2
SCHEMBL3493179 0.85 MC4R (0.39) MC4RMC3RMC1RCA1CA2
SCHEMBL3493941 0.84 KDM2B (0.39) MC4RMC3RMC1RCA1CA2
SCHEMBL3495283 0.84 JAK2 (0.47) JAK2JAK1TYK2JAK3LCK
SCHEMBL3495117 0.84 CA1 (0.48) OPRK1CA1CA2CA4CA9
SCHEMBL3495075 0.84 CA1 (0.49) CA1CA2CA4CA9HRH3
SCHEMBL3492311 0.83 CA1 (0.41) MC4RMC3RMC1RCA1CA2

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 PARP1 2353/4885JAK2 922/4885JAK1 1604/4885

“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.